data_2rqh_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 2rqh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -102.77 99.46 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.23 -25.49 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -74.69 -4.62 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.45 168.16 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.49 154.12 30.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -51.89 167.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.71 -25.92 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -51.96 -49.22 63.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -51.68 -48.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.4 -39.67 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 7.3 mtm -60.75 -59.99 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 54.0 mt -51.78 -49.12 63.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.15 -39.72 98.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -29.62 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.59 -24.6 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.5 -57.86 14.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -32.49 18.28 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.8 -58.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.29 -18.79 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -21.11 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -84.34 -7.5 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.8 mtm -118.84 -60.1 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -126.55 72.11 73.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -22.34 32.01 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 30.3 m -52.19 -43.78 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.89 36.28 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.71 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.29 91.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -52.35 -60.5 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.4 pt -60.48 -34.01 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.8 m -66.34 -28.74 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -67.19 -54.02 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -40.87 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.45 -59.13 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -23.01 66.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.01 -19.38 58.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.85 -62.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.81 130.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.79 -27.4 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -62.17 -51.27 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.8 mt -53.75 -44.39 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.96 -39.36 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.6 -27.38 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.4 mtp -64.3 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.78 -49.78 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.69 19.88 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -121.3 79.11 35.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.22 -23.74 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 -35.56 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.11 35.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.3 t -61.08 -57.01 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -46.19 85.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.6 -57.19 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.56 -43.25 79.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -52.89 -49.18 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.39 -35.92 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.28 -34.61 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -22.72 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -72.35 -57.09 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.71 -33.94 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.651 0.739 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.89 10.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -72.35 101.56 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.47 -29.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -77.34 58.79 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.54 103.56 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 173.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.64 145.8 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -116.01 -21.34 9.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' B' ' 590' ' ' ASN . 19.6 mt-30 -48.44 -45.44 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -56.17 -43.31 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -62.93 -42.31 99.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.4 mtp -60.53 -60.24 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.66 -49.07 63.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.25 99.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.86 -44.43 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.88 -29.15 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.74 -22.3 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.5 -57.98 17.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.79 -30.98 21.28 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.52 -55.99 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.45 -19.51 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -57.9 -20.79 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -88.45 9.79 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.6 mtm -139.2 -59.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -130.28 67.53 80.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.573 0.702 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -24.39 29.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 18.2 m -51.11 -37.66 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.26 30.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.11 -55.83 13.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.65 -41.31 65.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.24 -62.35 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.6 pt -60.19 -24.88 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -46.4 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.57 -43.21 85.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -52.23 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.0 mp -54.39 -53.56 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -25.35 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.07 -19.22 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 98.1 mt -50.35 -62.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.65 126.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . 0.445 HD21 ' NE2' ' B' ' 558' ' ' GLN . 17.1 m-20 -63.85 -29.19 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -60.92 -49.91 75.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.44 -44.67 34.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.68 -45.24 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.5 mt -49.93 -31.75 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 45.3 mtp -69.25 -24.98 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.22 -46.67 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -103.06 23.7 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 3.5 t -115.63 82.15 9.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.17 22.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -92.48 -1.14 57.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.2 t -125.31 -47.4 1.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.0 tp -50.24 -47.02 55.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -54.87 -57.65 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -45.43 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -55.48 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 62.2 t -52.89 -55.9 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -55.97 -42.55 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -47.02 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.91 -59.39 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.99 -37.45 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.5 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.11 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -74.76 -54.51 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -55.41 -26.11 39.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.667 0.746 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.43 49.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.36 99.35 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -50.49 -28.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -77.06 58.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.0 -168.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.2 169.36 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.62 121.84 7.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -105.6 -49.25 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.87 -30.73 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.7 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -54.08 -35.2 61.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -60.22 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 85.5 mt -51.4 -50.83 58.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.02 -37.07 94.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.07 -47.28 85.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -75.82 -28.49 58.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.59 -24.46 56.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -53.62 -57.95 15.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.79 -31.54 20.2 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.94 -58.72 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.35 -18.81 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -20.66 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.45 -9.54 54.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.9 mtm -113.9 -60.61 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -130.26 72.75 81.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.87 37.27 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 32.4 m -55.32 -40.73 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.89 34.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.11 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.01 -41.52 68.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -58.54 -61.18 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.8 pt -63.29 -22.57 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 17.6 m -68.74 -49.06 61.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -57.98 -41.15 94.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.44 -49.26 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.82 -55.48 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.75 -24.98 67.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.74 -19.45 59.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.45 -62.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.86 128.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.76 -49.13 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -74.05 -45.11 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.03 -44.83 64.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.95 -36.91 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -87.44 -25.32 23.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 84.6 mtp -70.94 -24.16 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -49.1 -51.38 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.2 22.81 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -114.8 78.41 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.697 0.76 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -91.67 -14.14 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 38.1 t -111.69 -40.3 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.51 -54.74 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -53.61 -47.86 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.9 t -52.38 -53.71 41.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -49.23 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.76 -52.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.76 -41.51 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -54.48 -50.2 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.38 -52.69 60.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.72 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.78 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -23.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -41.96 61.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -22.24 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.8 58.36 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -88.06 100.02 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.13 -26.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -73.35 -5.8 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.35 167.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.93 162.6 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.67 147.38 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.17 -27.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -52.02 -51.28 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -52.04 -47.31 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.21 -38.72 84.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.02 -60.23 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 77.9 mt -51.42 -49.44 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.69 -37.1 93.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.96 -30.7 58.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.69 -22.61 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.12 -58.16 14.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -32.21 18.94 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.52 -55.65 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 6.5 mt -75.51 -19.74 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.25 -23.68 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.38 -14.7 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.7 mtm -108.48 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -132.19 75.18 75.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.96 34.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.8 m -62.11 -42.69 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.27 35.22 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.86 -56.35 10.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.11 74.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.41 -61.35 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.1 pt -62.65 -23.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 17.0 m -68.28 -47.96 66.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.63 -42.05 95.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.02 -48.5 57.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -56.28 -57.06 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.13 -24.98 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -76.12 -19.45 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -49.77 -62.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.81 126.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.96 -29.72 70.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -46.65 88.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.41 -41.93 38.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.14 -45.61 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.8 mt -50.0 -32.78 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -91.87 -25.35 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 62.1 mtp -65.28 -33.53 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.64 -41.66 43.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.97 29.0 7.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.24 80.11 64.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.691 0.758 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -8.15 22.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -87.06 -15.2 39.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.9 t -112.19 -38.21 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 55.6 tp -50.79 -50.25 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.8 m -58.69 -56.13 26.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -51.52 -56.11 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.71 -48.9 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -61.54 -41.11 96.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.06 -48.89 75.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.26 54.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.6 t -51.6 -36.5 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.43 61.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -23.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.72 -56.27 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -53.86 -40.97 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 130.38 19.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.282 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.35 104.2 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.9 p -52.43 -24.32 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -84.83 52.55 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.54 102.74 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 163.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -51.86 136.8 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.71 -39.47 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.74 -30.98 35.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.64 -71.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -33.57 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -60.45 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 31.0 mt -52.21 -48.43 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.25 90.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -45.78 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -75.76 -30.93 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.5 mt -75.67 -24.59 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.83 -58.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -34.35 14.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 40.5 mt -54.93 -57.19 12.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.64 -21.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.11 -22.92 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.14 -4.9 49.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 28.6 mtm -124.26 -57.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -125.77 70.27 65.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 23.0 m -67.22 -42.86 83.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.06 32.68 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.69 -54.76 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.78 -41.59 75.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -61.79 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.2 pt -59.97 -26.15 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 22.2 m -68.78 -45.13 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.14 -45.83 86.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -49.12 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.22 -57.77 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -26.37 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.23 -19.5 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.4 mt -50.62 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.51 130.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.04 -29.71 70.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 15.3 t -59.74 -49.55 77.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.31 -44.47 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.45 -43.81 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -33.11 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.0 -26.23 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 79.0 mtp -62.92 -33.82 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.65 -43.29 46.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.68 27.51 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.3 82.16 69.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.22 -12.03 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 37.9 m -114.12 -40.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.67 -55.3 17.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -53.87 -37.76 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -48.76 78.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -59.1 -54.02 51.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.92 -55.5 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.22 -41.77 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.79 -47.4 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.23 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.52 -37.32 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.69 -34.97 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -26.34 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.4 -51.3 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.33 -30.19 27.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.638 0.733 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 129.25 17.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -76.55 103.78 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -50.3 -28.06 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -77.02 59.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.77 101.57 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 176.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.47 154.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.761 0.315 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -93.97 -29.01 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.1 -47.63 65.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -53.4 -54.34 38.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -55.99 -39.47 71.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 2.1 mtm -59.63 -60.09 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 53.0 mt -51.36 -48.01 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.14 -42.51 99.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -75.53 -28.9 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.84 -22.98 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.6 -57.89 16.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.75 -32.5 18.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 42.2 mt -59.44 -57.04 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.2 mt -75.21 -19.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.74 -19.96 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.57 -9.48 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.1 mtm -114.84 -60.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -128.81 72.64 81.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.43 37.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 27.3 m -55.85 -41.58 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.08 34.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.16 -57.55 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.84 -41.46 75.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.31 -61.67 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.5 pt -63.28 -24.32 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.9 m -68.4 -41.91 79.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.67 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -48.74 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.78 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -26.67 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.32 -19.51 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.4 mt -50.32 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.33 131.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.38 -27.93 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 13.8 t -60.85 -52.71 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.23 -45.67 59.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.09 -33.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -92.15 -27.54 17.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.6 mtp -67.59 -23.51 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.69 -53.8 17.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.9 22.05 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -114.38 81.57 6.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -87.19 -23.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 30.9 t -101.48 -39.55 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.9 tp -50.3 -62.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -33.12 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -53.77 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.44 92.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.92 -60.02 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.44 -38.66 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -58.42 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.15 -43.64 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.5 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -22.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -44.46 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -71.68 -33.03 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.653 0.74 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.1 9.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -114.53 103.53 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.59 -27.66 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -76.72 59.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.18 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 173.99 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -51.77 158.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.745 0.307 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -96.4 -24.91 15.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -52.03 -50.33 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -52.12 -47.64 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.25 -37.1 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.3 mtm -62.93 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 44.4 mt -52.9 -48.64 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.19 95.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.48 -45.79 90.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -30.0 59.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.6 mt -75.89 -22.88 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.524 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.96 -58.03 15.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.77 -33.24 16.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.89 -55.85 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.55 -20.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.94 -23.15 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.87 -4.42 43.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 14.6 mtm -125.55 -57.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -124.85 69.33 56.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.76 31.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 36.0 m -53.96 -39.24 65.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.16 36.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.21 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.53 94.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -54.52 -60.78 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.32 -33.18 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 22.0 m -65.93 -30.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.47 -54.57 22.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 ptm -65.86 -41.34 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.47 -56.56 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -26.59 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -75.95 -19.33 58.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 86.3 mt -48.82 -61.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.34 124.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.69 -29.2 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -44.69 96.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.2 -44.75 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.29 -44.57 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -37.72 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.71 -26.01 24.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 54.2 mtp -69.81 -24.65 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 17.0 mt -48.84 -54.64 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -95.03 21.93 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.0 t -117.67 81.47 14.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.77 -24.05 22.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.6 m -100.84 -36.39 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.5 -62.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -33.17 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -61.45 -57.3 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -45.19 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 97.9 t -53.84 -56.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -56.53 -41.63 77.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -55.3 -48.89 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.15 -58.88 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 92.3 t -50.44 -32.4 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.59 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -25.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.71 -51.32 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -58.61 -22.55 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.35 69.37 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.51 101.14 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 p -52.73 -27.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -76.99 60.38 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.69 -169.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.63 166.25 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -51.69 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.864 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -25.6 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -64.1 -36.78 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.7 mtp -63.73 -60.75 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 72.6 mt -52.82 -47.5 67.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.2 93.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -44.98 96.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -31.3 58.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.14 -21.54 56.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -54.83 -58.16 15.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.73 -33.32 16.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.26 -55.52 33.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.9 -19.94 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -57.64 -23.28 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.68 -11.75 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.3 mtm -114.18 -58.1 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -128.86 73.54 81.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.64 37.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 24.8 m -58.4 -43.79 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.73 38.54 2.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.82 -50.76 32.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.49 93.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -54.97 -60.62 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.88 -32.56 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.7 m -66.43 -32.2 73.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.29 -53.19 34.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 5.0 ptm -67.45 -42.48 83.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.35 -60.0 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -21.97 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.89 -19.31 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.61 -61.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.67 127.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.73 -27.29 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.1 t -62.61 -48.76 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.49 -43.93 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.02 -45.75 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.25 -32.76 17.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.95 -27.29 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 18.7 mtp -71.47 -21.93 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.65 -50.75 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -97.5 20.35 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.8 t -114.0 79.64 4.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.92 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.51 -16.48 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.1 m -105.78 -44.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 26.8 tp -50.24 -52.28 37.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.91 -54.54 28.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.89 -45.12 64.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -55.47 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.47 -54.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.67 -43.56 89.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.85 -46.39 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.23 -57.94 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.7 t -49.8 -34.91 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.84 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -25.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.61 -55.11 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.95 -30.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.99 13.48 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.744 2.296 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -105.45 100.21 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.66 -25.33 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -76.17 60.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.74 -169.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.38 111.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.753 0.311 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -91.55 -24.01 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.87 -49.42 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.57 -39.0 86.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.87 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.35 -51.52 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.5 89.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.53 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.54 -34.14 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.73 -19.9 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -55.82 -58.69 14.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.74 -32.6 18.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 57.2 mt -58.72 -55.84 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.4 mt -75.36 -19.83 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.76 -24.25 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.32 -12.1 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.3 mtm -111.0 -58.47 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -133.18 73.89 73.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.03 37.49 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -40.03 75.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.98 33.35 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.64 -51.56 27.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.19 92.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -54.86 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.2 pt -61.08 -32.52 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 20.0 m -66.39 -31.51 72.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.46 -54.36 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.5 ptm -66.32 -40.97 90.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.23 -56.47 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -27.68 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -75.79 -19.39 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 77.0 mt -49.22 -61.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.14 123.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -67.93 -28.58 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.9 t -61.42 -41.18 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -84.14 -42.06 16.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.51 -46.9 70.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -36.2 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -86.71 -24.36 25.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.6 mtm -70.46 -28.31 64.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.18 -42.06 38.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -107.24 29.68 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.7 81.81 52.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.61 26.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.67 -23.95 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.9 t -106.39 -36.05 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 50.8 tp -50.89 -63.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -32.72 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.8 t -61.59 -57.61 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -57.12 -45.85 83.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 84.9 t -53.73 -54.77 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.16 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.99 -47.38 80.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.18 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.56 -36.64 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.99 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -25.58 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.4 -54.5 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -51.89 -31.22 27.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.591 0.71 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.88 40.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -101.15 97.68 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.11 -28.02 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -76.4 59.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.93 -169.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.7 165.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.08 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.757 0.313 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -79.99 -25.01 40.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -57.86 -37.9 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -64.69 -62.56 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.97 -40.55 61.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.4 mmm -61.24 -54.19 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.31 -54.14 44.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.43 -46.03 95.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.56 -45.43 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -28.3 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.53 -21.49 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -57.09 -58.13 19.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.73 -30.53 22.27 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.06 -58.59 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.22 -19.08 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.78 -20.85 38.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.89 8.01 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.8 mtm -137.07 -59.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -127.26 67.91 71.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.48 30.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 24.1 m -51.84 -41.36 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.1 34.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.92 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.25 88.18 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.98 -61.14 2.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.296 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.7 -28.45 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 21.9 m -67.95 -44.71 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.49 87.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -46.86 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.06 -55.39 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.52 -24.47 67.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.12 -19.4 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 78.8 mt -50.47 -62.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.83 129.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.24 -28.43 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.2 t -62.29 -52.82 62.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.5 -46.07 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.8 mt -52.59 -45.77 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.79 -35.01 21.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.55 -28.05 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.2 mtm -68.3 -25.0 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.15 -45.35 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -107.14 23.47 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.9 t -115.99 80.54 9.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -89.79 -18.11 26.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.5 m -106.8 -39.85 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.15 -48.35 53.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -53.89 -55.16 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.9 m -51.73 -48.22 63.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -57.76 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.06 -44.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.64 -39.05 91.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.44 -49.62 76.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.11 -57.81 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.8 t -51.48 -34.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.71 -34.51 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -23.95 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.87 -52.9 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.76 -29.04 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.732 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.11 102.66 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 p -48.47 -30.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -80.2 57.0 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.09 104.5 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.42 165.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.64 150.57 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -22.4 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -48.48 -43.61 34.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -57.26 -43.73 83.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.01 -41.33 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.7 mtp -61.34 -60.19 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.47 -53.36 38.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.41 98.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.07 -44.54 79.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -29.31 58.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.82 -22.19 56.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.43 -57.97 17.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.4 Cg_endo -69.74 -30.91 21.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.66 -56.96 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.6 mt -75.17 -19.19 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.81 -20.96 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -89.19 9.93 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 33.0 mtm -137.64 -58.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -132.37 68.49 79.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.26 29.7 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.667 2.244 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 14.8 m -51.35 -35.78 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.54 29.26 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.01 15.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -42.49 69.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.04 -61.45 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.74 -23.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.8 m -70.46 -48.65 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.82 -42.2 78.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -52.73 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.74 -53.35 40.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -24.88 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.24 -19.29 58.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.97 -62.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.78 127.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -65.23 -27.84 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.8 t -61.02 -49.6 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -76.44 -45.34 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.58 -45.27 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.9 mt -50.13 -32.23 15.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -92.05 -25.91 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 7.1 mtm -70.14 -23.6 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.2 -42.11 29.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.62 21.84 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.28 85.06 15.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.671 0.748 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.27 -24.3 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -102.06 -37.34 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 65.0 tp -50.57 -62.15 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -32.2 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -56.18 22.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.21 -44.07 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 86.5 t -54.95 -57.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -56.36 -43.98 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.77 -50.63 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.69 -57.86 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.42 -31.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.7 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -26.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -74.98 -42.36 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -55.41 -29.02 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.668 0.747 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.01 97.12 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.18 -25.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -74.6 -5.07 40.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.8 168.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.75 166.54 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.71 158.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.823 0.344 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -75.18 -25.86 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -51.68 -46.99 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -52.81 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -57.54 -37.06 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 9.4 mtm -62.74 -60.27 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 78.0 mt -51.56 -50.28 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.54 90.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -46.41 90.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -30.16 59.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.0 mt -75.85 -24.33 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.32 -57.88 13.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.73 -33.45 16.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.76 -55.7 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.8 -20.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -57.61 -22.6 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.05 -4.35 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.4 mtm -125.27 -57.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -124.57 69.39 53.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.79 32.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 38.0 m -56.58 -37.05 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.22 35.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.1 22.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.61 94.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -60.82 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.1 pt -61.38 -31.84 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 24.3 m -67.81 -31.73 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.69 39.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 2.8 ptm -68.17 -44.93 74.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.25 -47.91 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -20.71 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -20.06 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.1 mt -48.22 -61.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.66 127.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.41 -28.2 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 22.4 t -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -74.91 -46.91 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.8 -44.15 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 7.6 tt -49.44 -36.47 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -88.32 -26.29 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 46.1 mtp -69.21 -24.3 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.4 mt -48.8 -54.99 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.17 21.38 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.3 t -113.19 81.83 5.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -92.88 -18.41 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 9.2 t -103.76 -40.16 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 33.2 tp -50.29 -48.99 54.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.86 -46.87 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.7 m -58.59 -44.89 89.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -58.22 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.37 -49.89 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.01 -43.41 98.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -53.45 -51.17 63.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.7 -55.88 22.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 98.8 t -50.08 -32.84 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.36 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -25.2 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.16 -52.85 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -53.5 -28.45 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.558 0.694 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 164.71 33.62 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -102.63 99.42 9.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -51.44 -28.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.28 66.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.95 -168.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.75 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 121.59 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.311 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.98 -46.05 64.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -55.04 -53.36 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -57.6 -37.19 72.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.9 mtm -61.73 -60.07 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 89.0 mt -51.89 -49.36 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.61 99.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -57.36 -45.93 83.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.5 -28.72 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.79 -23.77 55.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.524 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.53 -57.91 15.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -32.91 17.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 44.8 mt -58.23 -55.99 27.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.44 -20.33 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.61 -23.21 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.1 -4.27 43.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.8 mtm -125.49 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.02 69.41 58.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -14.37 36.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 59.5 m -61.08 -41.02 95.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.01 36.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.11 -51.36 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.04 96.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -54.43 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.8 pt -60.86 -31.69 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 21.1 m -67.12 -32.07 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.43 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.8 ptm -66.91 -41.19 87.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.333 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.66 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -25.97 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.77 -19.36 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 77.9 mt -49.66 -62.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.39 126.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.18 -27.7 68.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 42.2 m -60.49 -48.51 81.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -76.45 -45.06 32.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.4 mt -51.67 -43.86 62.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -38.25 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -86.48 -26.65 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 72.9 mtp -63.65 -33.64 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.93 -49.81 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.17 21.99 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.3 t -122.85 80.29 49.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.65 24.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.65 -22.89 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -100.56 -34.04 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.0 tp -50.19 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -33.27 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -62.06 -54.97 33.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -45.76 87.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.39 -55.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -56.99 -41.18 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.41 -48.71 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.72 -59.34 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.13 -34.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.67 59.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -25.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.29 -54.64 7.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -51.66 -36.56 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.638 0.733 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -129.14 103.05 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 p -49.12 -28.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -76.94 58.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.83 100.97 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 175.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -51.35 140.86 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.7 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.51 -29.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -52.14 -42.66 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -58.87 -59.63 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.01 -44.06 63.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 5.0 mmm -56.78 -54.66 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.03 -53.08 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.06 -46.25 94.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -45.63 70.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.15 -26.63 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.88 -24.2 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.51 -57.99 16.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.02 -58.29 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.0 mt -75.61 -18.97 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.58 -20.75 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.88 7.17 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 18.8 mtm -137.84 -59.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -123.74 66.94 39.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -18.62 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 14.1 m -56.88 -43.54 81.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.48 35.68 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.27 25.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.77 -43.53 86.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.73 -60.94 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.9 pt -61.15 -24.73 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 12.0 m -68.07 -47.1 69.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.74 -45.63 90.7 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -49.12 62.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.99 -58.37 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.42 -26.66 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.13 -19.41 58.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.6 mt -49.96 -62.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.63 128.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.99 -30.98 72.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -64.4 -49.26 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.48 -48.1 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.1 -49.67 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.11 17.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -87.97 -29.74 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.4 ptm -71.54 -23.65 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.07 -42.16 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.35 21.82 16.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.4 t -120.47 82.25 32.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.694 0.759 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -86.3 -22.53 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 7.8 t -105.73 -33.34 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.8 tp -50.55 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -32.43 38.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.9 t -61.07 -58.45 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -57.62 -45.9 84.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.84 -54.9 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.41 -41.62 85.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.11 -50.97 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.03 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 99.5 t -50.68 -30.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.08 -36.74 58.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -27.3 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.02 -38.07 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.01 -23.92 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.34 11.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 103.84 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.3 -26.61 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.58 59.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.97 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 156.88 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -51.13 131.97 27.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.04 -40.84 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.1 -27.59 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -64.65 -66.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.73 -35.92 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -60.06 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.24 -51.11 57.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.63 87.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.77 -48.27 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -29.23 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.93 -24.44 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.8 t80 -52.62 -57.89 14.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.653 0.739 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -34.09 15.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.9 mt -56.65 -54.89 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.0 mt -75.73 -19.14 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.39 -24.8 47.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.79 -17.35 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.5 mtm -105.1 -58.72 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -132.65 76.46 71.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.744 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.04 32.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 11.9 m -51.6 -44.56 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.53 36.51 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.69 -51.66 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.18 92.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -55.05 -61.03 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.3 pt -60.95 -32.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.5 m -67.1 -30.69 70.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.48 30.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.2 ptm -67.79 -42.58 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.7 -53.41 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -23.56 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.49 -19.44 58.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 92.0 mt -49.01 -61.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.35 121.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -59.25 -34.11 71.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 m -63.99 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -72.19 -50.09 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 7.3 mt -51.62 -50.25 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.06 -25.56 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.92 -32.64 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -73.44 -17.98 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.12 -51.7 50.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.42 13.12 18.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.1 t -110.03 83.72 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -90.61 -24.55 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.8 m -101.86 -37.87 8.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.8 tp -49.69 -62.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -32.95 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 t -62.04 -56.64 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.68 -56.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.97 -40.12 75.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -56.79 -48.66 77.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.48 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.61 -35.02 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.04 -36.01 59.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -26.41 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.34 -46.86 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.56 -25.64 39.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.66 0.743 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.17 54.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -96.98 98.45 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.68 -26.1 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -76.49 59.45 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.14 -169.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.63 167.67 28.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -51.53 122.68 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.304 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -19.17 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -51.48 -53.13 40.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.77 -48.23 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.5 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.1 mtm -61.98 -60.32 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.93 -48.52 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.08 99.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.49 -44.06 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -29.14 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.59 -24.41 56.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.92 -57.87 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.83 -32.23 18.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.21 -57.94 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.17 -19.29 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.12 -20.26 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.62 3.61 43.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 16.9 mtm -133.54 -59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -123.96 68.08 44.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.97 31.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 50.1 m -52.25 -42.52 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.9 34.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.18 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.22 91.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -53.56 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.25 -32.83 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.9 m -65.34 -31.59 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.26 -54.81 21.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.0 ptm -65.79 -40.18 91.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.98 -57.43 13.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -24.98 65.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -76.32 -19.39 58.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.63 -62.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.8 126.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.59 -27.37 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 19.4 t -62.55 -49.48 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.55 -47.12 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.6 -50.3 60.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.29 -28.88 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -86.92 -31.72 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.2 ptm -69.44 -24.85 63.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.45 -50.39 31.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -100.87 26.13 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 83.9 64.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -86.25 -23.17 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.0 t -103.27 -33.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.04 -62.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -32.38 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -54.49 40.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -59.05 -46.8 87.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 90.2 t -54.24 -55.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.75 -39.86 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.82 -47.64 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.82 -52.03 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.66 -36.91 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.05 68.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -26.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -76.46 -59.92 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -15.15 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.662 0.744 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.04 3.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.64 96.63 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.3 p -55.32 156.43 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.0 m80 67.57 48.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.67 134.55 33.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.06 138.62 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.42 125.08 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.87 -46.81 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -58.79 -21.03 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -65.25 -59.72 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.43 -39.18 82.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -60.9 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 39.2 mt -53.34 -53.8 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.77 84.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.92 -41.23 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -75.84 -30.0 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.73 -23.06 56.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.98 -58.1 14.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.75 -32.31 18.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.74 -58.9 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.39 -18.62 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -23.12 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -83.42 -16.41 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.8 mtm -104.7 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -132.42 76.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -20.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 25.3 m -52.88 -44.34 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.33 36.0 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.95 -51.44 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.74 -45.77 94.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -60.95 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 2.9 pt -60.71 -34.38 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 23.5 m -65.47 -30.33 71.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.02 -54.39 24.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -39.24 83.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.56 -60.21 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.71 -23.75 65.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -76.09 -19.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 86.5 mt -49.56 -61.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.14 126.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -66.19 -29.38 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 3.3 t -62.06 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.22 -41.69 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.64 -46.04 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.05 29.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -86.62 -25.17 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 63.5 mtp -66.33 -33.1 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.6 mt -50.45 -46.84 56.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.12 23.17 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.99 81.07 70.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -89.55 -15.37 33.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.3 t -108.83 -39.0 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 tp -51.05 -49.58 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -55.8 -46.22 78.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -57.2 -49.45 75.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -56.2 -59.1 5.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.11 -51.72 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -43.8 87.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.42 -58.12 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.9 -34.0 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.38 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -26.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -76.3 -34.85 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -51.63 -28.62 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.598 0.713 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.75 37.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -100.31 100.62 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.02 -28.43 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.62 79.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.89 100.76 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.53 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -156.64 155.76 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.793 0.33 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -78.63 -37.55 41.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.45 -51.21 48.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -52.17 54.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.3 -35.77 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 1.1 mtm -63.61 -60.29 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 51.8 mt -52.69 -48.59 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.73 -34.05 87.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.52 -46.87 86.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -30.49 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.81 -24.62 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.68 -58.08 12.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.72 -34.39 14.8 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.78 -56.36 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.64 -21.6 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.82 -23.24 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.04 -6.05 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.6 mtm -122.72 -57.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -126.02 70.49 67.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -9.37 25.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 31.5 m -66.73 -41.74 87.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.89 35.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.02 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.29 -46.38 86.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -60.64 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.6 pt -62.47 -25.5 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 15.5 m -71.5 -33.46 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.92 58.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.06 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.92 -57.62 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.31 -22.85 67.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -76.15 -19.51 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 87.9 mt -49.85 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.82 128.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.88 -28.79 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.8 t -60.85 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.0 -44.05 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.9 mt -49.34 -35.54 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -89.4 -26.5 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 47.8 mtp -69.27 -24.05 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.91 -54.92 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.65 22.59 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.2 t -113.65 79.05 4.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -91.32 -18.21 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 m -104.52 -43.58 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 42.9 tp -50.44 -48.92 56.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -52.11 -57.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.3 -50.13 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -52.97 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 28.2 t -54.29 -54.08 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.43 -40.33 78.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.48 -51.23 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.1 -57.55 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.46 -36.14 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.0 60.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -24.65 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.22 -55.14 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.85 -27.44 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.642 0.734 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.08 20.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -80.97 101.05 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.3 156.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.5 m80 68.9 28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.29 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.14 138.35 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.95 137.54 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.94 -23.41 13.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.77 -50.62 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -51.81 -47.7 64.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.59 -38.17 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 6.2 mtm -63.35 -59.97 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 90.2 mt -51.64 -50.23 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.52 -32.76 84.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.17 -48.32 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -29.71 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.4 mt -75.66 -24.57 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.37 -58.06 13.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.81 -32.9 17.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.32 -56.57 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.8 mt -75.25 -20.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -58.07 -23.41 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.58 -2.95 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.07 -56.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -126.98 69.11 72.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -13.02 34.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 26.1 m -61.96 -42.5 99.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.89 36.53 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.94 -53.26 20.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.44 87.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -61.04 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.1 pt -61.27 -24.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 13.1 m -68.72 -43.87 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -59.74 -43.91 97.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -47.2 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -55.59 -57.46 11.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.9 -23.3 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.76 -19.4 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -50.34 -62.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.26 127.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -64.84 -30.33 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 26.0 t -61.03 -49.41 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.34 -45.02 57.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.2 mt -52.62 -44.67 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -35.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.43 -27.05 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 48.2 mtp -68.2 -24.81 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.76 -51.09 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.34 23.18 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.7 t -117.29 80.81 12.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.699 0.761 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.24 -24.51 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -101.09 -36.56 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.43 -61.7 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -33.81 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -61.88 -60.32 3.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -53.58 -45.73 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.56 -53.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.02 -40.88 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.76 -51.89 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.19 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.42 -47.42 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.37 73.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -26.1 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -75.42 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -25.39 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 118.13 5.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.635 2.224 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -67.94 104.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.18 -20.97 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -83.1 4.19 27.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 100.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.32 163.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.87 143.53 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.91 -41.69 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -54.11 -33.12 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.99 -64.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -56.75 -36.08 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -60.28 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.58 -50.5 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.17 97.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.1 -41.23 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.354 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.58 -30.02 59.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.71 -23.64 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.32 -57.94 14.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.683 0.754 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.82 -32.0 19.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.99 -58.31 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 5.5 mt -75.01 -18.72 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -57.8 -21.92 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.36 4.42 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 36.6 mtm -131.15 -59.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -132.19 70.02 80.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -27.26 26.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 8.8 m -50.8 -32.66 20.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.75 27.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.12 -56.34 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.95 68.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.66 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 5.2 pt -62.67 -23.78 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.3 m -69.3 -45.97 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.6 -41.91 95.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 1.3 mtm -70.03 -55.06 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.31 -56.88 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -27.46 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.37 -19.49 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 74.1 mt -50.35 -62.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.03 127.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -60.76 -31.71 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 58.0 m -63.52 -50.86 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.63 -46.67 62.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.51 -45.5 69.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.11 -31.93 14.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -92.65 -25.58 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.5 mtm -70.07 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.42 -42.01 30.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.71 24.38 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.3 t -116.03 82.65 11.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.91 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -93.58 -2.23 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -47.59 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.4 tp -50.28 -45.82 54.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.59 -55.18 38.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.8 t -49.35 -45.35 45.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -60.52 -54.01 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.46 -48.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.03 -41.09 99.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.79 -45.27 78.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.23 -57.79 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 67.8 t -51.07 -36.51 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.98 -32.45 59.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -25.41 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -75.01 -53.43 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -51.32 -30.79 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm 60.35 73.09 0.67 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -10.41 28.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' VAL . 12.4 t80 -115.17 -29.42 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' PHE . 2.5 p 36.0 78.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -102.77 99.46 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.23 -25.49 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -74.69 -4.62 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.45 168.16 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.49 154.12 30.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -51.89 167.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.42 -30.96 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.5 m -57.29 155.39 18.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 130.05 18.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.378 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -69.33 110.88 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -128.35 176.11 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp 57.51 95.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 176.38 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.33 175.33 25.94 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -27.14 26.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -120.19 159.49 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -79.59 160.59 69.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.686 0.755 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -172.1 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 44.3 mt -110.62 156.26 21.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 73.1 p -149.54 153.57 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.61 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 22.2 t -68.7 -35.84 77.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 7.0 ttt -79.29 -39.76 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.67 -25.93 68.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -76.4 -39.79 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 48.2 m -52.09 -47.55 65.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.41 60.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 167.83 23.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -15.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -88.53 -25.75 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.71 -25.92 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -51.96 -49.22 63.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -51.68 -48.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.4 -39.67 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 7.3 mtm -60.75 -59.99 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 54.0 mt -51.78 -49.12 63.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.15 -39.72 98.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -29.62 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.59 -24.6 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.5 -57.86 14.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -32.49 18.28 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 47.8 mt -58.8 -58.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.29 -18.79 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -21.11 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -84.34 -7.5 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.8 mtm -118.84 -60.1 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -126.55 72.11 73.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -22.34 32.01 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 30.3 m -52.19 -43.78 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.89 36.28 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.54 -49.71 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.29 91.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -52.35 -60.5 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.4 pt -60.48 -34.01 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.8 m -66.34 -28.74 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -67.19 -54.02 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -40.87 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.45 -59.13 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -23.01 66.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.01 -19.38 58.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.85 -62.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.81 130.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.79 -27.4 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -62.17 -51.27 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.8 mt -53.75 -44.39 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.96 -39.36 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.6 -27.38 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.4 mtp -64.3 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.78 -49.78 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.69 19.88 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -121.3 79.11 35.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.22 -23.74 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 -35.56 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.11 35.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.3 t -61.08 -57.01 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -46.19 85.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 96.0 t -52.6 -57.19 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.56 -43.25 79.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -52.89 -49.18 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.39 -35.92 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.28 -34.61 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -22.72 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -72.35 -57.09 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -53.71 -33.94 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -52.95 -56.48 15.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -70.81 -63.81 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -165.67 145.37 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -121.71 126.21 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -104.18 165.13 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -104.84 60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -96.92 122.09 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -166.96 70.11 1.01 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -10.67 29.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -120.81 132.55 55.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -112.46 76.18 1.94 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.89 10.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -72.35 101.56 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.47 -29.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -77.34 58.79 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.54 103.56 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 173.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.64 145.8 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -69.89 136.56 50.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -159.87 158.83 27.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.33 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.5 p -124.62 128.17 48.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -110.05 -22.71 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.17 163.03 27.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -123.93 28.99 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.31 -178.29 15.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.84 2.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.58 16.4 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.81 160.43 27.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -169.71 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.97 159.97 39.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 20.4 p -134.98 176.08 8.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.07 20.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 42.5 t -62.85 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.9 ttt -79.54 -25.25 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -28.51 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.56 63.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 2.5 t -55.23 -26.5 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -104.54 160.4 26.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 167.93 22.99 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.43 34.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -97.03 0.4 48.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -116.01 -21.34 9.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' B' ' 590' ' ' ASN . 19.6 mt-30 -48.44 -45.44 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -56.17 -43.31 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -62.93 -42.31 99.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.4 mtp -60.53 -60.24 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.66 -49.07 63.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.25 99.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.86 -44.43 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.88 -29.15 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.74 -22.3 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.5 -57.98 17.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.79 -30.98 21.28 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 42.5 mt -60.52 -55.99 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.45 -19.51 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -57.9 -20.79 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -88.45 9.79 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.6 mtm -139.2 -59.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -130.28 67.53 80.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.573 0.702 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -24.39 29.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 18.2 m -51.11 -37.66 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.26 30.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.11 -55.83 13.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.65 -41.31 65.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.24 -62.35 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.6 pt -60.19 -24.88 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -46.4 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.57 -43.21 85.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -52.23 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.0 mp -54.39 -53.56 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -25.35 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.07 -19.22 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 98.1 mt -50.35 -62.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.65 126.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . 0.445 HD21 ' NE2' ' B' ' 558' ' ' GLN . 17.1 m-20 -63.85 -29.19 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -60.92 -49.91 75.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.44 -44.67 34.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.68 -45.24 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.5 mt -49.93 -31.75 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 45.3 mtp -69.25 -24.98 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.22 -46.67 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -103.06 23.7 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 3.5 t -115.63 82.15 9.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.17 22.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -92.48 -1.14 57.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.2 t -125.31 -47.4 1.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.0 tp -50.24 -47.02 55.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -54.87 -57.65 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -45.43 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -55.48 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 62.2 t -52.89 -55.9 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -55.97 -42.55 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -47.02 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.91 -59.39 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.99 -37.45 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.5 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -26.11 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -74.76 -54.51 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -55.41 -26.11 39.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -77.08 -27.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -81.99 179.8 7.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -153.93 -63.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -168.77 166.99 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -106.66 -24.85 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -57.69 139.47 53.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -76.54 -73.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -104.33 160.63 25.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.549 0.69 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 101.21 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -59.01 141.64 53.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -112.84 75.56 1.96 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.43 49.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.36 99.35 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -50.49 -28.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -77.06 58.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.0 -168.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.2 169.36 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.62 121.84 7.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -51.77 -30.68 23.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.9 m -58.7 155.41 30.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.38 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -93.36 133.5 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -137.56 175.94 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.88 26.55 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 162.58 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.69 -171.64 5.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -17.8 37.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.34 161.29 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -129.7 137.43 30.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.709 0.766 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.36 1.47 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.242 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.8 146.94 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 21.0 p -145.51 -178.7 6.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.48 69.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 5.8 m -58.37 -23.43 56.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 14.1 ttt -78.06 -64.45 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 40.9 mt -60.67 -19.71 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . 59.55 41.11 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.8 t 55.21 26.66 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.6 160.5 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.93 22.99 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -11.1 30.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -80.75 -26.0 37.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -105.6 -49.25 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.87 -30.73 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.7 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -54.08 -35.2 61.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -60.22 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 85.5 mt -51.4 -50.83 58.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.02 -37.07 94.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.07 -47.28 85.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -75.82 -28.49 58.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.59 -24.46 56.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -53.62 -57.95 15.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.79 -31.54 20.2 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.94 -58.72 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.35 -18.81 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -20.66 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.45 -9.54 54.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.9 mtm -113.9 -60.61 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -130.26 72.75 81.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.87 37.27 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 32.4 m -55.32 -40.73 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.89 34.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.11 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.01 -41.52 68.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -58.54 -61.18 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.8 pt -63.29 -22.57 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 17.6 m -68.74 -49.06 61.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -57.98 -41.15 94.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.44 -49.26 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.82 -55.48 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.75 -24.98 67.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.74 -19.45 59.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.45 -62.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.86 128.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.76 -49.13 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -74.05 -45.11 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.03 -44.83 64.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.95 -36.91 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -87.44 -25.32 23.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 84.6 mtp -70.94 -24.16 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -49.1 -51.38 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.2 22.81 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -114.8 78.41 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.697 0.76 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -91.67 -14.14 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 38.1 t -111.69 -40.3 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.51 -54.74 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -53.61 -47.86 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.9 t -52.38 -53.71 41.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -49.23 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.76 -52.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.76 -41.51 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -54.48 -50.2 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.38 -52.69 60.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.72 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.78 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -23.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -41.96 61.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -22.24 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -94.23 32.35 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -151.96 142.88 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -101.18 126.14 47.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -176.41 -176.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -130.26 -179.87 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -111.89 48.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 53.63 41.4 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 54.21 68.37 2.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 132.93 24.33 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -53.95 144.04 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.37 73.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.8 58.36 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -88.06 100.02 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.13 -26.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -73.35 -5.8 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.35 167.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.93 162.6 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.67 147.38 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -74.75 -29.45 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.2 m -66.65 154.72 90.86 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.657 0.742 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -118.16 109.37 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -119.66 -25.06 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.7 tp -152.31 160.11 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -123.83 39.89 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 176.63 37.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -171.54 0.48 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -97.16 69.26 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.88 160.3 0.12 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.19 2.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 3.5 mp -109.3 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 64.9 p -151.06 154.47 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.9 -33.99 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 8.3 t -56.06 -28.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.1 ttt -89.8 -34.52 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.23 -21.02 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -94.16 20.89 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.6 t -117.95 -29.53 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -106.98 160.36 26.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.535 0.683 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.91 23.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.11 34.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -84.17 -25.78 29.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.17 -27.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -52.02 -51.28 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -52.04 -47.31 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.21 -38.72 84.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.02 -60.23 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 77.9 mt -51.42 -49.44 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.69 -37.1 93.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.96 -30.7 58.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.69 -22.61 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.12 -58.16 14.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -32.21 18.94 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.52 -55.65 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 6.5 mt -75.51 -19.74 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.25 -23.68 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.38 -14.7 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.7 mtm -108.48 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -132.19 75.18 75.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.96 34.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.8 m -62.11 -42.69 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.27 35.22 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.86 -56.35 10.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.11 74.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.41 -61.35 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.1 pt -62.65 -23.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 17.0 m -68.28 -47.96 66.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.63 -42.05 95.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.02 -48.5 57.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -56.28 -57.06 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.13 -24.98 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -76.12 -19.45 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 97.0 mt -49.77 -62.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.81 126.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.96 -29.72 70.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -46.65 88.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.41 -41.93 38.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.14 -45.61 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.8 mt -50.0 -32.78 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -91.87 -25.35 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 62.1 mtp -65.28 -33.53 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.64 -41.66 43.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.97 29.0 7.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.24 80.11 64.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.691 0.758 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -8.15 22.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -87.06 -15.2 39.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.9 t -112.19 -38.21 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 55.6 tp -50.79 -50.25 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.8 m -58.69 -56.13 26.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -51.52 -56.11 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.71 -48.9 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -61.54 -41.11 96.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.06 -48.89 75.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.26 54.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.6 t -51.6 -36.5 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.43 61.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -23.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.72 -56.27 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -53.86 -40.97 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.9 71.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -63.46 -27.34 69.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -54.3 -56.78 15.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.74 159.55 32.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -127.15 83.08 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.27 -29.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -98.42 48.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.813 0.34 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -66.16 160.74 62.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 177.97 5.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -57.77 138.15 55.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.14 73.61 1.74 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 130.38 19.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.282 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.35 104.2 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.9 p -52.43 -24.32 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -84.83 52.55 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.54 102.74 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 163.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -51.86 136.8 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -56.67 -27.01 57.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.98 133.33 20.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.06 8.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m 63.49 50.06 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -108.95 -23.42 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.87 -63.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.49 164.85 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 61.99 -177.05 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 176.75 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.89 35.98 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -121.27 160.57 45.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.8 2.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -75.41 150.78 38.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 34.4 p -138.54 164.97 28.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.09 -20.29 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 18.8 t -67.01 -37.95 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -91.17 -31.18 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.57 -27.75 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.64 -19.01 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 m -93.9 16.68 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -120.52 160.08 45.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.698 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -10.42 28.53 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.697 2.264 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.19 -23.61 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.71 -39.47 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.74 -30.98 35.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.64 -71.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -33.57 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -60.45 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 31.0 mt -52.21 -48.43 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.25 90.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -45.78 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -75.76 -30.93 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.5 mt -75.67 -24.59 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.83 -58.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -34.35 14.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 40.5 mt -54.93 -57.19 12.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.64 -21.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.11 -22.92 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.14 -4.9 49.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 28.6 mtm -124.26 -57.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -125.77 70.27 65.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 23.0 m -67.22 -42.86 83.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.06 32.68 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.69 -54.76 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.78 -41.59 75.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -61.79 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.2 pt -59.97 -26.15 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 22.2 m -68.78 -45.13 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.14 -45.83 86.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -49.12 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.22 -57.77 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -26.37 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.23 -19.5 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.4 mt -50.62 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.51 130.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.04 -29.71 70.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 15.3 t -59.74 -49.55 77.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.31 -44.47 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.45 -43.81 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -33.11 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.0 -26.23 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 79.0 mtp -62.92 -33.82 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.65 -43.29 46.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.68 27.51 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.3 82.16 69.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.22 -12.03 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 37.9 m -114.12 -40.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.67 -55.3 17.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -53.87 -37.76 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -48.76 78.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -59.1 -54.02 51.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.92 -55.5 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.22 -41.77 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.79 -47.4 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.23 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.52 -37.32 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.69 -34.97 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -26.34 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.4 -51.3 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.33 -30.19 27.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.5 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -67.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -110.65 140.97 44.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -155.21 -173.58 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -136.95 178.94 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.99 -38.4 90.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.87 80.52 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.913 0.387 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -100.48 160.68 26.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.551 0.691 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.66 3.45 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.66 132.97 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.43 75.92 1.86 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.638 0.733 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 129.25 17.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -76.55 103.78 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -50.3 -28.06 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -77.02 59.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.77 101.57 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 176.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.47 154.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -76.54 179.53 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 65.54 148.94 0.11 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 82.33 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -97.89 145.4 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -130.08 26.51 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.97 177.5 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 26.43 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.04 172.7 13.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.68 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.391 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -151.15 136.7 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -99.97 160.54 26.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.55 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.35 147.37 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 24.4 p -126.54 171.65 10.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.65 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 16.8 t -68.01 -30.4 69.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.4 ttt -77.97 -51.16 10.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -34.0 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.74 -29.9 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 14.3 m -57.77 -26.16 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -98.81 160.43 27.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 111.053 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 167.92 23.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.97 35.39 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -91.39 -25.27 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -93.97 -29.01 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.1 -47.63 65.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -53.4 -54.34 38.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -55.99 -39.47 71.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 2.1 mtm -59.63 -60.09 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 53.0 mt -51.36 -48.01 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.14 -42.51 99.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -75.53 -28.9 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.84 -22.98 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.6 -57.89 16.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.75 -32.5 18.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 42.2 mt -59.44 -57.04 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.2 mt -75.21 -19.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.74 -19.96 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.57 -9.48 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.1 mtm -114.84 -60.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -128.81 72.64 81.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.43 37.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 27.3 m -55.85 -41.58 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.08 34.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.16 -57.55 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.84 -41.46 75.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.31 -61.67 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.5 pt -63.28 -24.32 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.9 m -68.4 -41.91 79.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.67 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -48.74 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.78 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -26.67 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.32 -19.51 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.4 mt -50.32 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.33 131.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.38 -27.93 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 13.8 t -60.85 -52.71 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.23 -45.67 59.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.09 -33.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -92.15 -27.54 17.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.6 mtp -67.59 -23.51 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.69 -53.8 17.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.9 22.05 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -114.38 81.57 6.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -87.19 -23.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 30.9 t -101.48 -39.55 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.9 tp -50.3 -62.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -33.12 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -53.77 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.44 92.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.92 -60.02 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.44 -38.66 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -58.42 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.15 -43.64 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.5 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -22.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -44.46 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -71.68 -33.03 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -54.27 -49.03 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.64 -68.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -144.9 177.14 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -159.0 123.6 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -127.99 174.84 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.6 133.61 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -94.58 -36.37 11.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 58.17 71.19 1.07 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 177.03 6.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.617 2.211 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.74 146.2 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.0 t -113.83 72.43 2.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.74 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.1 9.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -114.53 103.53 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.59 -27.66 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -76.72 59.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.18 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 173.99 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -51.77 158.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -86.67 138.6 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 178.69 149.25 0.41 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.28 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.246 . . . . 0.0 112.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.1 p -61.01 136.68 58.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -114.53 -26.32 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 -64.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -80.84 156.73 25.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.4 68.0 1.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -170.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -122.37 16.3 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.45 160.68 16.98 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -178.32 2.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 66.2 mt -115.22 151.31 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.31 176.19 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.57 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 18.2 t -69.25 -26.31 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 8.7 ttt -93.63 -41.6 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.17 -28.67 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -83.94 -28.91 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 22.6 t -53.12 -49.7 65.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.26 160.4 81.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.701 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.83 23.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -12.1 32.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -93.94 -24.83 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -96.4 -24.91 15.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -52.03 -50.33 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -52.12 -47.64 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.25 -37.1 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.3 mtm -62.93 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 44.4 mt -52.9 -48.64 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.19 95.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.48 -45.79 90.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -30.0 59.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.6 mt -75.89 -22.88 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.524 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.96 -58.03 15.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.77 -33.24 16.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.89 -55.85 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.55 -20.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.94 -23.15 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.87 -4.42 43.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 14.6 mtm -125.55 -57.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -124.85 69.33 56.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.76 31.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 36.0 m -53.96 -39.24 65.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.16 36.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.21 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.53 94.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -54.52 -60.78 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.32 -33.18 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 22.0 m -65.93 -30.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.47 -54.57 22.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 ptm -65.86 -41.34 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.47 -56.56 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -26.59 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -75.95 -19.33 58.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 86.3 mt -48.82 -61.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.34 124.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.69 -29.2 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -44.69 96.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.2 -44.75 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.29 -44.57 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -37.72 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.71 -26.01 24.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 54.2 mtp -69.81 -24.65 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 17.0 mt -48.84 -54.64 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -95.03 21.93 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.0 t -117.67 81.47 14.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.77 -24.05 22.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.6 m -100.84 -36.39 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.5 -62.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -33.17 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -61.45 -57.3 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -45.19 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 97.9 t -53.84 -56.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -56.53 -41.63 77.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -55.3 -48.89 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.15 -58.88 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 92.3 t -50.44 -32.4 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.59 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -25.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.71 -51.32 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -58.61 -22.55 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -81.09 -0.6 40.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -98.84 176.32 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -135.8 -58.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.67 179.43 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -153.57 121.98 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -160.72 131.11 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 55.4 53.66 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.09 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.826 0.346 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -163.21 69.56 1.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.35 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.38 146.23 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.7 72.68 2.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.35 69.37 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.51 101.14 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 p -52.73 -27.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -76.99 60.38 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.69 -169.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.63 166.25 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -51.69 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -67.9 -25.87 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.03 133.34 23.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.84 33.9 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.0 p -82.55 177.29 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -115.57 -20.18 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.5 mt -127.07 129.3 47.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -29.13 21.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.95 165.97 6.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 133.58 25.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.275 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.819 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -109.41 150.62 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.25 132.46 1.4 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.68 0.753 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.21 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 3.3 mt -112.88 158.59 20.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 29.1 p -133.46 163.04 30.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -66.21 -13.71 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 31.3 t -78.5 -41.29 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 9.0 ptp -79.38 -30.92 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.15 -24.95 47.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -77.48 -34.25 54.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 61.7 m -52.25 -31.32 31.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -104.1 160.58 25.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 168.49 21.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.27 . . . . 0.0 112.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -24.3 29.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -77.16 -22.28 52.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -25.6 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -64.1 -36.78 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.7 mtp -63.73 -60.75 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 72.6 mt -52.82 -47.5 67.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.2 93.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -44.98 96.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -31.3 58.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.14 -21.54 56.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -54.83 -58.16 15.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.73 -33.32 16.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.26 -55.52 33.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.9 -19.94 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -57.64 -23.28 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.68 -11.75 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.3 mtm -114.18 -58.1 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -128.86 73.54 81.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.64 37.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 24.8 m -58.4 -43.79 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.73 38.54 2.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.82 -50.76 32.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.49 93.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -54.97 -60.62 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.88 -32.56 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.7 m -66.43 -32.2 73.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.29 -53.19 34.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 5.0 ptm -67.45 -42.48 83.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.35 -60.0 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -21.97 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.89 -19.31 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.61 -61.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.67 127.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.73 -27.29 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.1 t -62.61 -48.76 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.49 -43.93 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.02 -45.75 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.25 -32.76 17.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.95 -27.29 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 18.7 mtp -71.47 -21.93 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.65 -50.75 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -97.5 20.35 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.8 t -114.0 79.64 4.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.92 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.51 -16.48 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.1 m -105.78 -44.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 26.8 tp -50.24 -52.28 37.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.91 -54.54 28.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.89 -45.12 64.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -55.47 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.47 -54.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.67 -43.56 89.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.85 -46.39 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.23 -57.94 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.7 t -49.8 -34.91 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.84 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -25.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.61 -55.11 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -51.95 -30.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.56 79.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -58.11 -71.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -102.39 142.91 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -173.17 153.87 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -24.98 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.48 88.49 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -114.12 140.42 48.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 60.12 73.72 0.62 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.89 13.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -121.01 -42.03 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t 68.56 65.7 0.56 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.99 13.48 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.744 2.296 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -105.45 100.21 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.66 -25.33 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -76.17 60.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.74 -169.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.38 111.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -52.05 -29.52 21.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.54 133.29 33.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 114.1 3.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.3 t -119.42 75.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -73.59 -30.71 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.58 133.44 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 178.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.28 -169.12 11.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.14 66.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.292 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.874 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -114.54 87.68 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.24 160.82 39.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -178.46 2.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 7.1 mp -109.88 172.34 6.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 34.0 p -152.05 151.19 30.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.6 -47.19 76.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 22.9 t -53.22 -28.73 28.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.4 ttp -81.37 -33.7 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.57 -22.87 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.76 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 3.6 t -55.15 -27.53 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -95.68 160.7 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 167.98 22.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.68 35.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -91.55 -24.01 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.87 -49.42 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.57 -39.0 86.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.87 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.35 -51.52 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.5 89.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.53 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.54 -34.14 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.73 -19.9 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -55.82 -58.69 14.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.74 -32.6 18.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 57.2 mt -58.72 -55.84 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.4 mt -75.36 -19.83 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.76 -24.25 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.32 -12.1 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.3 mtm -111.0 -58.47 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -133.18 73.89 73.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.03 37.49 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -40.03 75.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.98 33.35 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.64 -51.56 27.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.19 92.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -54.86 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.2 pt -61.08 -32.52 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 20.0 m -66.39 -31.51 72.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.46 -54.36 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.5 ptm -66.32 -40.97 90.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.23 -56.47 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -27.68 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -75.79 -19.39 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 77.0 mt -49.22 -61.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.14 123.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -67.93 -28.58 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.9 t -61.42 -41.18 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -84.14 -42.06 16.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.51 -46.9 70.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -36.2 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -86.71 -24.36 25.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.6 mtm -70.46 -28.31 64.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.18 -42.06 38.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -107.24 29.68 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.7 81.81 52.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.61 26.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.67 -23.95 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.9 t -106.39 -36.05 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 50.8 tp -50.89 -63.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -32.72 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.8 t -61.59 -57.61 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -57.12 -45.85 83.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 84.9 t -53.73 -54.77 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.16 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.99 -47.38 80.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.18 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.56 -36.64 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.99 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -25.58 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.4 -54.5 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -51.89 -31.22 27.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.4 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -66.94 -49.71 64.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -132.78 125.67 30.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -124.56 93.88 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -170.09 129.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -118.97 151.26 38.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.57 125.31 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 155.69 2.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 158.1 58.22 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.68 -43.03 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t 67.95 65.52 0.62 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.88 40.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -101.15 97.68 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.11 -28.02 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -76.4 59.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.93 -169.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.7 165.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.08 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -51.19 132.91 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -157.44 133.78 6.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.31 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -159.96 157.36 28.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -110.8 -176.17 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tp 63.73 37.37 10.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.42 169.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.97 -176.51 47.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.49 66.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.01 138.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -155.7 160.48 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -174.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 25.2 mt -131.84 160.04 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 13.3 p -149.33 143.39 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -54.26 -27.21 33.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 8.1 t -74.89 -35.05 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.9 ttt -81.91 -49.68 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -32.05 70.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.9 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 69.0 m -64.57 -26.32 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -90.4 160.42 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.9 23.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -14.47 36.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -89.61 -35.87 15.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -79.99 -25.01 40.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -57.86 -37.9 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -64.69 -62.56 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.97 -40.55 61.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.4 mmm -61.24 -54.19 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.31 -54.14 44.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.43 -46.03 95.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.56 -45.43 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -28.3 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.53 -21.49 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -57.09 -58.13 19.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.73 -30.53 22.27 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.06 -58.59 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.22 -19.08 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.78 -20.85 38.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.89 8.01 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.8 mtm -137.07 -59.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -127.26 67.91 71.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.48 30.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 24.1 m -51.84 -41.36 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.1 34.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.92 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.25 88.18 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.98 -61.14 2.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.296 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.6 pt -59.7 -28.45 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 21.9 m -67.95 -44.71 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.49 87.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -46.86 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.06 -55.39 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.52 -24.47 67.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.12 -19.4 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 78.8 mt -50.47 -62.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.83 129.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.24 -28.43 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.2 t -62.29 -52.82 62.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.5 -46.07 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.8 mt -52.59 -45.77 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.79 -35.01 21.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.55 -28.05 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.2 mtm -68.3 -25.0 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.15 -45.35 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -107.14 23.47 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.9 t -115.99 80.54 9.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -89.79 -18.11 26.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.5 m -106.8 -39.85 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.15 -48.35 53.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -53.89 -55.16 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.9 m -51.73 -48.22 63.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -57.76 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.06 -44.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.64 -39.05 91.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.44 -49.62 76.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.11 -57.81 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.8 t -51.48 -34.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.71 -34.51 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -23.95 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.87 -52.9 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.76 -29.04 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -69.41 -23.84 63.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -109.84 142.56 40.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -146.67 122.54 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -110.47 -30.72 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -161.05 112.74 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.21 155.82 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -108.73 123.38 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER 179.69 -60.84 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 53.4 Cg_endo -69.79 79.05 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -143.73 125.56 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.7 m -110.47 78.52 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.11 102.66 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 p -48.47 -30.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -80.2 57.0 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.09 104.5 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.42 165.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.64 150.57 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -70.36 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 m -50.36 155.1 1.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.46 68.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -153.77 62.28 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -70.08 -27.04 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.2 176.94 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 170.5 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.64 -74.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.42 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 63.22 16.78 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -53.96 160.44 2.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -178.55 2.4 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 61.9 mt -112.58 155.2 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -159.55 148.99 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.97 -24.5 58.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.9 t -86.4 -30.32 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.7 ttt -79.55 -41.14 27.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.25 -25.96 65.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -28.89 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.1 t -52.78 -29.14 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -101.94 160.34 26.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 168.32 21.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.38 34.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -90.53 -23.31 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -22.4 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -48.48 -43.61 34.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -57.26 -43.73 83.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.01 -41.33 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.7 mtp -61.34 -60.19 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.47 -53.36 38.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.41 98.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.07 -44.54 79.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -29.31 58.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.82 -22.19 56.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.43 -57.97 17.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.4 Cg_endo -69.74 -30.91 21.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.66 -56.96 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.6 mt -75.17 -19.19 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.81 -20.96 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -89.19 9.93 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 33.0 mtm -137.64 -58.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -132.37 68.49 79.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.26 29.7 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.667 2.244 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 14.8 m -51.35 -35.78 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.54 29.26 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.01 15.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -42.49 69.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.04 -61.45 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.74 -23.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.8 m -70.46 -48.65 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.82 -42.2 78.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -52.73 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.74 -53.35 40.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.89 -24.88 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.24 -19.29 58.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.97 -62.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.78 127.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -65.23 -27.84 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.8 t -61.02 -49.6 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -76.44 -45.34 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.58 -45.27 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.9 mt -50.13 -32.23 15.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -92.05 -25.91 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 7.1 mtm -70.14 -23.6 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.2 -42.11 29.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.62 21.84 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.28 85.06 15.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.671 0.748 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.27 -24.3 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -102.06 -37.34 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 65.0 tp -50.57 -62.15 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -32.2 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -56.18 22.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.21 -44.07 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 86.5 t -54.95 -57.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -56.36 -43.98 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.77 -50.63 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.69 -57.86 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.42 -31.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.7 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.69 -26.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -74.98 -42.36 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -55.41 -29.02 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -70.52 -24.46 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -54.37 -27.49 36.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -65.48 -29.79 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -51.55 166.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -128.33 -175.93 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -137.2 -176.84 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -90.02 87.48 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.344 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -129.28 72.7 81.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.15 27.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.56 144.97 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.46 73.77 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.01 97.12 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.18 -25.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -74.6 -5.07 40.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.8 168.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.75 166.54 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.71 158.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.48 -28.92 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.23 133.31 57.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -91.93 159.77 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -136.31 25.31 3.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mt -147.46 131.86 17.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -26.85 34.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.07 70.36 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -89.69 134.94 33.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.3 137.42 42.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.638 0.732 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.16 2.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.4 mt -99.0 154.39 18.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 79.7 p -150.54 171.48 17.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.12 -31.35 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.3 m -62.62 -53.86 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 34.3 ttm -66.26 -48.73 69.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.73 -23.19 50.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -87.46 -44.2 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.9 m -52.11 -30.17 25.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -100.02 160.41 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.503 0.668 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 167.85 23.14 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.395 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -97.06 -36.87 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -75.18 -25.86 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -51.68 -46.99 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -52.81 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -57.54 -37.06 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 9.4 mtm -62.74 -60.27 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 78.0 mt -51.56 -50.28 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.54 90.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -46.41 90.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -30.16 59.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.0 mt -75.85 -24.33 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.32 -57.88 13.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.73 -33.45 16.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.76 -55.7 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.8 -20.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -57.61 -22.6 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.05 -4.35 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.4 mtm -125.27 -57.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -124.57 69.39 53.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.79 32.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 38.0 m -56.58 -37.05 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.22 35.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.1 22.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.61 94.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -60.82 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.1 pt -61.38 -31.84 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 24.3 m -67.81 -31.73 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.69 39.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 2.8 ptm -68.17 -44.93 74.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.25 -47.91 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -20.71 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -20.06 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.1 mt -48.22 -61.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.66 127.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.41 -28.2 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 22.4 t -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -74.91 -46.91 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.8 -44.15 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 7.6 tt -49.44 -36.47 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -88.32 -26.29 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 46.1 mtp -69.21 -24.3 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.4 mt -48.8 -54.99 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.17 21.38 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.3 t -113.19 81.83 5.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -92.88 -18.41 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 9.2 t -103.76 -40.16 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 33.2 tp -50.29 -48.99 54.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.86 -46.87 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.7 m -58.59 -44.89 89.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -58.22 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.37 -49.89 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.01 -43.41 98.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -53.45 -51.17 63.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.7 -55.88 22.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 98.8 t -50.08 -32.84 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.36 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -25.2 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.16 -52.85 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -53.5 -28.45 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.72 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -172.82 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -149.88 122.18 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -162.27 172.86 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 147.73 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -120.76 -52.42 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -114.98 -45.17 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.858 0.361 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -166.87 69.54 1.02 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 113.42 3.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.65 145.64 54.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -112.53 76.55 2.07 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.558 0.694 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 164.71 33.62 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -102.63 99.42 9.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -51.44 -28.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.28 66.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.95 -168.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.75 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 121.59 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -60.96 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 86' ' ' VAL . 5.2 p 37.91 67.06 2.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 87.04 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.2 t -81.32 -26.42 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -119.8 162.05 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mt 58.73 72.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.39 164.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.47 67.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.36 159.94 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -163.89 137.42 4.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.65 160.84 14.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 72.1 p -150.23 -175.29 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.89 -44.69 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.1 m -53.6 -28.67 33.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.2 ttt -93.07 -37.81 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.9 -20.85 65.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.56 7.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.7 p -120.48 -33.5 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -96.71 160.56 29.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.82 23.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.608 2.205 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -15.07 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -85.54 -25.2 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.98 -46.05 64.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -55.04 -53.36 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -57.6 -37.19 72.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.9 mtm -61.73 -60.07 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 89.0 mt -51.89 -49.36 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.61 99.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -57.36 -45.93 83.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.5 -28.72 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.79 -23.77 55.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.524 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.53 -57.91 15.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -32.91 17.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 44.8 mt -58.23 -55.99 27.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.44 -20.33 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.61 -23.21 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.1 -4.27 43.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.8 mtm -125.49 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.02 69.41 58.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -14.37 36.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 59.5 m -61.08 -41.02 95.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.01 36.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.11 -51.36 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.04 96.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -54.43 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.8 pt -60.86 -31.69 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 21.1 m -67.12 -32.07 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.43 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.8 ptm -66.91 -41.19 87.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.333 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.66 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -25.97 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.77 -19.36 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 77.9 mt -49.66 -62.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.39 126.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.18 -27.7 68.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 42.2 m -60.49 -48.51 81.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -76.45 -45.06 32.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.4 mt -51.67 -43.86 62.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -38.25 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -86.48 -26.65 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 72.9 mtp -63.65 -33.64 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.93 -49.81 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.17 21.99 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.3 t -122.85 80.29 49.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.65 24.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.65 -22.89 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -100.56 -34.04 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.0 tp -50.19 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -33.27 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -62.06 -54.97 33.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -45.76 87.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.39 -55.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -56.99 -41.18 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.41 -48.71 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.72 -59.34 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.13 -34.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.67 59.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -25.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.29 -54.64 7.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -51.66 -36.56 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -171.88 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -150.89 -51.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.05 161.33 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -126.85 141.4 51.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 52.47 31.48 9.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.24 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 70.83 68.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.48 35.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.377 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.5 t80 -125.4 -44.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.9 m 35.1 70.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.733 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -129.14 103.05 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 p -49.12 -28.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -76.94 58.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.83 100.97 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 175.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -51.35 140.86 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.83 134.32 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.1 p -179.08 132.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -75.04 101.53 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -105.37 -23.38 12.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.7 -177.4 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -26.13 57.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.35 -72.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 161.86 44.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -52.57 163.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 160.53 80.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.54 1.91 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 18.6 mt -112.72 158.28 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 68.3 p -141.71 163.48 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.03 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.7 t -61.2 -33.13 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.0 ttt -90.53 -42.01 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -25.9 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -77.27 -42.3 37.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 m -53.94 -28.05 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -96.52 160.45 29.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.536 0.684 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.8 23.31 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.2 37.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.47 -25.31 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.51 -29.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -52.14 -42.66 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -58.87 -59.63 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.01 -44.06 63.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 5.0 mmm -56.78 -54.66 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.03 -53.08 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.06 -46.25 94.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -45.63 70.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.15 -26.63 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.88 -24.2 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.51 -57.99 16.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.02 -58.29 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.0 mt -75.61 -18.97 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.58 -20.75 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.88 7.17 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 18.8 mtm -137.84 -59.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -123.74 66.94 39.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -18.62 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 14.1 m -56.88 -43.54 81.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.48 35.68 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.27 25.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.77 -43.53 86.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.73 -60.94 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.9 pt -61.15 -24.73 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 12.0 m -68.07 -47.1 69.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.74 -45.63 90.7 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -49.12 62.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.99 -58.37 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.42 -26.66 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.13 -19.41 58.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.6 mt -49.96 -62.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.63 128.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.99 -30.98 72.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -64.4 -49.26 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.48 -48.1 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.1 -49.67 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.11 17.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -87.97 -29.74 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.4 ptm -71.54 -23.65 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.07 -42.16 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.35 21.82 16.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.4 t -120.47 82.25 32.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.694 0.759 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -86.3 -22.53 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 7.8 t -105.73 -33.34 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.8 tp -50.55 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -32.43 38.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.9 t -61.07 -58.45 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -57.62 -45.9 84.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 67.2 t -52.84 -54.9 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.41 -41.62 85.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.11 -50.97 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.03 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 99.5 t -50.68 -30.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.08 -36.74 58.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -27.3 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.02 -38.07 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.01 -23.92 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -95.55 21.95 7.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -102.89 136.63 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -105.66 116.85 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -171.55 154.11 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -108.01 -24.92 11.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.49 95.66 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.34 49.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -155.95 68.3 4.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.507 0.67 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 131.66 21.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -99.22 145.03 27.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -112.33 76.62 1.98 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.34 11.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 103.84 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.3 -26.61 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.58 59.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.97 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 156.88 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -51.13 131.97 27.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.26 -29.6 69.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -49.95 108.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -57.62 176.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -128.41 9.08 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.04 -178.83 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.64 -177.71 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.93 69.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.26 17.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -109.07 99.11 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -130.28 137.41 30.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.75 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 9.5 mp -121.04 138.61 54.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 25.0 p -133.37 148.86 51.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.36 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.3 m -52.77 -35.9 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.1 ttt -79.15 -52.84 7.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.97 -37.87 54.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.45 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.4 m -55.36 -26.35 40.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -94.3 160.51 31.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.88 23.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -94.43 -25.77 16.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.04 -40.84 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.1 -27.59 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -64.65 -66.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.73 -35.92 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -60.06 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.24 -51.11 57.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.63 87.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.77 -48.27 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -29.23 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.93 -24.44 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.8 t80 -52.62 -57.89 14.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.653 0.739 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -34.09 15.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.9 mt -56.65 -54.89 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.0 mt -75.73 -19.14 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.39 -24.8 47.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.79 -17.35 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.5 mtm -105.1 -58.72 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -132.65 76.46 71.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.744 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.04 32.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 11.9 m -51.6 -44.56 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.53 36.51 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.69 -51.66 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.18 92.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -55.05 -61.03 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 3.3 pt -60.95 -32.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.5 m -67.1 -30.69 70.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.48 30.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.2 ptm -67.79 -42.58 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.7 -53.41 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -23.56 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.49 -19.44 58.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 92.0 mt -49.01 -61.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.35 121.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -59.25 -34.11 71.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 m -63.99 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -72.19 -50.09 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 7.3 mt -51.62 -50.25 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.06 -25.56 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.92 -32.64 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -73.44 -17.98 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.12 -51.7 50.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.42 13.12 18.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.1 t -110.03 83.72 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -90.61 -24.55 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.8 m -101.86 -37.87 8.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.8 tp -49.69 -62.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -32.95 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 t -62.04 -56.64 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.68 -56.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.97 -40.12 75.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -56.79 -48.66 77.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.48 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 84.7 t -50.61 -35.02 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.04 -36.01 59.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -26.41 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.34 -46.86 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.56 -25.64 39.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -82.54 -24.27 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -86.68 136.23 33.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -114.01 128.44 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -157.88 137.1 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 103.94 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -91.19 -58.32 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -84.57 102.04 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.832 0.348 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 75' ' ' PRO . 1.6 mptm? -62.36 -60.42 10.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.544 0.688 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 54.1 Cg_endo -69.74 134.47 28.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -69.38 145.3 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -112.36 76.82 2.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.17 54.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -96.98 98.45 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.68 -26.1 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -76.49 59.45 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.14 -169.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.63 167.67 28.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -51.53 122.68 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.56 155.53 13.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -116.67 134.83 54.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -106.07 -32.47 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 130.67 47.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 167.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -169.12 173.34 43.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.88 37.62 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.86 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -122.51 128.85 51.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.915 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -73.44 160.55 82.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.45 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.61 152.29 30.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.6 p -150.73 177.71 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -74.15 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.4 m -54.05 -29.02 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 11.3 ttt -79.91 -35.58 37.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -35.27 62.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.66 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 48.4 t -62.44 -25.45 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -107.1 160.35 26.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.069 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 167.76 23.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.59 -24.27 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -19.17 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -51.48 -53.13 40.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.77 -48.23 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.5 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.1 mtm -61.98 -60.32 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.93 -48.52 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.08 99.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.49 -44.06 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -29.14 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.59 -24.41 56.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.92 -57.87 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.83 -32.23 18.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 40.3 mt -59.21 -57.94 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.17 -19.29 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.12 -20.26 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.62 3.61 43.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 16.9 mtm -133.54 -59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -123.96 68.08 44.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.97 31.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 50.1 m -52.25 -42.52 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.9 34.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.18 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.22 91.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -53.56 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.0 pt -61.25 -32.83 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.9 m -65.34 -31.59 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.26 -54.81 21.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.0 ptm -65.79 -40.18 91.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.98 -57.43 13.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -24.98 65.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -76.32 -19.39 58.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.63 -62.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.8 126.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.59 -27.37 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 19.4 t -62.55 -49.48 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.55 -47.12 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.6 -50.3 60.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.29 -28.88 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -86.92 -31.72 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.2 ptm -69.44 -24.85 63.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.45 -50.39 31.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -100.87 26.13 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 83.9 64.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -86.25 -23.17 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.0 t -103.27 -33.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.04 -62.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -32.38 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -54.49 40.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -59.05 -46.8 87.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 90.2 t -54.24 -55.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.75 -39.86 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.82 -47.64 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.82 -52.03 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.66 -36.91 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.05 68.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -26.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -76.46 -59.92 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -15.15 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -87.47 -29.13 21.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -154.3 118.46 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -173.66 -177.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 52.21 34.6 14.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.57 112.5 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -60.49 -64.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -155.19 157.5 31.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 109.73 2.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.71 -42.34 82.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 t 68.27 65.39 0.59 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.04 3.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.64 96.63 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.3 p -55.32 156.43 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.0 m80 67.57 48.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.67 134.55 33.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.06 138.62 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.42 125.08 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -53.16 -29.21 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.07 133.28 92.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 149.54 67.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.274 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.2 p -120.05 167.47 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -143.28 30.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mt -144.93 150.34 36.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -26.8 34.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.79 174.94 21.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.57 179.77 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -138.89 155.19 73.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.06 125.41 38.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.9 p -155.54 151.66 27.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.95 -18.71 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -19.71 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -32.02 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.62 -15.14 27.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . 51.8 41.28 29.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 9.7 m 63.47 31.35 14.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.03 160.73 1.43 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.28 21.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -8.54 23.88 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.721 2.28 . . . . 0.0 112.299 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -85.79 -24.37 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.87 -46.81 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -58.79 -21.03 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -65.25 -59.72 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.43 -39.18 82.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -60.9 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 39.2 mt -53.34 -53.8 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.77 84.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.92 -41.23 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -75.84 -30.0 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.73 -23.06 56.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.98 -58.1 14.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.75 -32.31 18.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.74 -58.9 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.39 -18.62 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.52 -23.12 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -83.42 -16.41 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.8 mtm -104.7 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -132.42 76.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -20.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 25.3 m -52.88 -44.34 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.33 36.0 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.95 -51.44 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.74 -45.77 94.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -60.95 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 2.9 pt -60.71 -34.38 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 23.5 m -65.47 -30.33 71.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.02 -54.39 24.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -39.24 83.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.56 -60.21 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.71 -23.75 65.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -76.09 -19.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 86.5 mt -49.56 -61.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.14 126.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -66.19 -29.38 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 3.3 t -62.06 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.22 -41.69 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.64 -46.04 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.05 29.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -86.62 -25.17 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 63.5 mtp -66.33 -33.1 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.6 mt -50.45 -46.84 56.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.12 23.17 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.99 81.07 70.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -89.55 -15.37 33.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.3 t -108.83 -39.0 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 tp -51.05 -49.58 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -55.8 -46.22 78.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -57.2 -49.45 75.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -56.2 -59.1 5.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.11 -51.72 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -43.8 87.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -62.42 -58.12 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.9 -34.0 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.38 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -26.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -76.3 -34.85 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -51.63 -28.62 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.48 -36.27 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -64.95 -67.93 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -148.67 117.19 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -156.22 137.84 14.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -80.12 123.9 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.4 143.33 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -70.16 -60.7 2.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 69.1 8.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -64.96 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.8 t 67.46 63.91 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.166 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.75 37.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -100.31 100.62 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.02 -28.43 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.62 79.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.89 100.76 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.53 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -156.64 155.76 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -80.78 -27.19 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.52 133.22 20.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 162.05 43.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -115.85 173.79 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -132.22 -175.89 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 mt 57.62 58.21 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 171.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.78 39.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 171.57 14.27 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.09 120.17 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -143.72 160.47 50.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.88 160.05 22.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 36.5 p -145.0 157.39 44.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.71 -36.67 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.5 t -52.38 -29.79 25.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 34.4 ttm -89.32 -46.53 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.33 23.49 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 42.1 t -133.17 -40.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.59 160.68 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.52 21.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -10.09 27.67 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -95.32 -33.85 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -78.63 -37.55 41.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.45 -51.21 48.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -52.17 54.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.3 -35.77 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 1.1 mtm -63.61 -60.29 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 51.8 mt -52.69 -48.59 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.73 -34.05 87.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.52 -46.87 86.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -30.49 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.81 -24.62 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.68 -58.08 12.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.72 -34.39 14.8 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 50.4 mt -55.78 -56.36 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.64 -21.6 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.82 -23.24 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.04 -6.05 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.6 mtm -122.72 -57.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -126.02 70.49 67.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -9.37 25.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 31.5 m -66.73 -41.74 87.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.89 35.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.02 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.29 -46.38 86.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -60.64 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.6 pt -62.47 -25.5 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 15.5 m -71.5 -33.46 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.92 58.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.06 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.92 -57.62 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.31 -22.85 67.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -76.15 -19.51 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 87.9 mt -49.85 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.82 128.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.88 -28.79 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.8 t -60.85 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.0 -44.05 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.9 mt -49.34 -35.54 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -89.4 -26.5 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 47.8 mtp -69.27 -24.05 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.91 -54.92 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.65 22.59 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.2 t -113.65 79.05 4.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -91.32 -18.21 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 m -104.52 -43.58 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 42.9 tp -50.44 -48.92 56.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -52.11 -57.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.3 -50.13 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -52.97 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 28.2 t -54.29 -54.08 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.43 -40.33 78.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.48 -51.23 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.1 -57.55 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.46 -36.14 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.0 60.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -24.65 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.22 -55.14 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.85 -27.44 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.86 -23.54 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -103.59 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.8 149.02 21.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -166.18 163.58 17.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -112.93 99.39 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.9 32.52 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.71 106.63 11.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.86 160.45 63.63 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.592 0.71 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -146.6 143.54 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.0 m -112.69 75.86 1.97 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.08 20.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -80.97 101.05 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.3 156.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.5 m80 68.9 28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.29 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.14 138.35 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.95 137.54 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -54.78 -27.71 43.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.4 154.33 85.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.38 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.384 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 p -51.84 120.46 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -116.29 -24.38 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.24 52.13 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -157.37 172.53 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.44 1.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.63 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -88.79 99.59 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.4 160.73 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -176.92 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.659 2.24 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 7.6 mp -106.39 138.85 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 40.8 p -151.63 -179.75 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.51 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.6 t -52.53 -48.78 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.2 ttt -79.83 -36.74 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.28 -23.86 66.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -93.61 19.12 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 28.9 t -117.08 -27.21 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -103.54 160.49 25.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 167.76 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.29 37.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.65 -25.88 38.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.94 -23.41 13.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.77 -50.62 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -51.81 -47.7 64.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.59 -38.17 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 6.2 mtm -63.35 -59.97 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 90.2 mt -51.64 -50.23 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.52 -32.76 84.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.17 -48.32 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -29.71 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 18.4 mt -75.66 -24.57 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.37 -58.06 13.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.81 -32.9 17.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.32 -56.57 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.8 mt -75.25 -20.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -58.07 -23.41 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.58 -2.95 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.07 -56.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -126.98 69.11 72.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -13.02 34.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 26.1 m -61.96 -42.5 99.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.89 36.53 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.94 -53.26 20.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.44 87.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -61.04 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 4.1 pt -61.27 -24.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 13.1 m -68.72 -43.87 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -59.74 -43.91 97.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -47.2 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -55.59 -57.46 11.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.9 -23.3 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.76 -19.4 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -50.34 -62.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.26 127.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -64.84 -30.33 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 26.0 t -61.03 -49.41 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.34 -45.02 57.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.2 mt -52.62 -44.67 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -35.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.43 -27.05 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 48.2 mtp -68.2 -24.81 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.76 -51.09 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.34 23.18 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.7 t -117.29 80.81 12.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.699 0.761 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.24 -24.51 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -101.09 -36.56 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.43 -61.7 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -33.81 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -61.88 -60.32 3.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -53.58 -45.73 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.56 -53.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.02 -40.88 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.76 -51.89 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.19 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.42 -47.42 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.37 73.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -26.1 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -75.42 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -25.39 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.03 -15.01 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -85.62 -45.32 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -150.66 127.74 11.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -105.78 51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.98 144.14 49.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 35.52 4.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -133.98 49.81 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.368 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -74.92 159.91 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.53 68.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -80.33 -49.05 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t 67.35 64.44 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 118.13 5.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.635 2.224 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -67.94 104.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -57.18 -20.97 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -83.1 4.19 27.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 100.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.32 163.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.87 143.53 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -61.77 -25.37 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 p -113.83 77.98 3.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.59 51.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.389 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 t -140.21 162.82 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -126.2 14.17 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.3 98.71 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -29.08 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.37 174.67 27.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.86 36.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -158.13 119.52 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -85.87 160.59 52.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.65 158.16 16.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 20.4 p -139.32 169.73 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -53.18 -43.88 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -21.24 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.3 ttt -94.24 -52.85 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -26.2 67.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.33 -16.83 56.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 14.7 m -88.86 -25.51 22.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -90.06 159.44 42.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.19 22.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -10.85 29.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -93.08 -34.09 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.91 -41.69 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -54.11 -33.12 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.99 -64.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -56.75 -36.08 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -60.28 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.58 -50.5 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.17 97.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.1 -41.23 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.354 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.58 -30.02 59.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.71 -23.64 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.32 -57.94 14.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.683 0.754 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.82 -32.0 19.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.99 -58.31 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 5.5 mt -75.01 -18.72 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -57.8 -21.92 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.36 4.42 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 36.6 mtm -131.15 -59.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -132.19 70.02 80.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -27.26 26.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 8.8 m -50.8 -32.66 20.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.75 27.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.12 -56.34 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.95 68.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.66 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 5.2 pt -62.67 -23.78 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.3 m -69.3 -45.97 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.6 -41.91 95.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 1.3 mtm -70.03 -55.06 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.31 -56.88 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -27.46 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.37 -19.49 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 74.1 mt -50.35 -62.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.03 127.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -60.76 -31.71 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 58.0 m -63.52 -50.86 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.63 -46.67 62.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.51 -45.5 69.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.11 -31.93 14.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -92.65 -25.58 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.5 mtm -70.07 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.42 -42.01 30.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.71 24.38 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.3 t -116.03 82.65 11.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.91 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -93.58 -2.23 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -47.59 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 39.4 tp -50.28 -45.82 54.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.59 -55.18 38.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.8 t -49.35 -45.35 45.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -60.52 -54.01 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.46 -48.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.03 -41.09 99.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.79 -45.27 78.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -68.23 -57.79 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 67.8 t -51.07 -36.51 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.98 -32.45 59.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -25.41 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -75.01 -53.43 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -51.32 -30.79 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.54 87.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -72.15 -65.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -165.81 163.1 18.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -157.2 141.36 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -134.13 158.22 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -96.16 94.56 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -106.77 74.57 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 77' ' ' VAL . 2.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' B' ' 610' ' ' ALA . 54.0 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -102.77 99.46 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -57.23 -25.49 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -74.69 -4.62 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.45 168.16 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.49 154.12 30.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -51.89 167.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.71 -25.92 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -51.96 -49.22 63.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -51.68 -48.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.4 -39.67 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 7.3 mtm -60.75 -59.99 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 54.0 mt -51.78 -49.12 63.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.15 -39.72 98.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -29.62 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' B' ' 569' ' ' LEU . 12.6 mt -75.59 -24.6 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.5 -57.86 14.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -32.49 18.28 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.8 mt -58.8 -58.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.456 HG21 HD11 ' B' ' 581' ' ' ILE . 8.3 mt -75.29 -18.79 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.36 -21.11 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -84.34 -7.5 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.8 mtm -118.84 -60.1 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.424 ' CE1' HG21 ' B' ' 611' ' ' VAL . 63.0 m80 -126.55 72.11 73.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -22.34 32.01 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.577 ' HB ' HD12 ' B' ' 577' ' ' LEU . 30.3 m -52.19 -43.78 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -138.89 36.28 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.54 -49.71 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.29 91.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -52.35 -60.5 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.4 pt -60.48 -34.01 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.59 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.8 m -66.34 -28.74 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -67.19 -54.02 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -40.87 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -59.45 -59.13 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -62.23 -23.01 66.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.01 -19.38 58.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.85 -62.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.81 130.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.79 -27.4 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -62.17 -51.27 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.8 mt -53.75 -44.39 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.96 -39.36 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.6 -27.38 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.4 mtp -64.3 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.78 -49.78 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.69 19.88 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -121.3 79.11 35.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.22 -23.74 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 -35.56 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 607' ' ' VAL . 58.8 tp -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.11 35.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.3 t -61.08 -57.01 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -58.05 -46.19 85.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 603' ' ' LEU . 96.0 t -52.6 -57.19 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.56 -43.25 79.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -52.89 -49.18 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.2 t -50.39 -35.92 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.28 -34.61 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.91 -22.72 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.52 HD13 ' C ' ' B' ' 614' ' ' LEU . 2.4 tm? -72.35 -57.09 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.407 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.7 mt-30 -53.71 -33.94 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.651 0.739 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' O ' HG11 ' B' ' 613' ' ' VAL . 53.3 Cg_endo -69.8 123.89 10.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -72.35 101.56 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.818 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -49.47 -29.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -77.34 58.79 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.54 103.56 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 173.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.64 145.8 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' B' ' 586' ' ' LEU . 4.6 p90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -116.01 -21.34 9.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.44 -45.44 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -56.17 -43.31 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -62.93 -42.31 99.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.4 mtp -60.53 -60.24 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.66 -49.07 63.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.25 99.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.86 -44.43 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.88 -29.15 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.0 mt -75.74 -22.3 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.5 -57.98 17.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.79 -30.98 21.28 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.5 mt -60.52 -55.99 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.598 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.45 -19.51 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -57.9 -20.79 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -88.45 9.79 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.6 mtm -139.2 -59.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -130.28 67.53 80.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.573 0.702 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.1 Cg_endo -69.75 -24.39 29.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.527 ' HB ' HD12 ' B' ' 577' ' ' LEU . 18.2 m -51.11 -37.66 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.26 30.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.11 -55.83 13.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.65 -41.31 65.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.24 -62.35 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.663 HD12 HG13 ' B' ' 607' ' ' VAL . 4.6 pt -60.19 -24.88 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.469 HG22 HD23 ' B' ' 586' ' ' LEU . 21.7 m -69.43 -46.4 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.57 -43.21 85.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -52.23 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 606' ' ' LYS . 4.0 mp -54.39 -53.56 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.469 HD23 HG22 ' B' ' 582' ' ' THR . 0.7 OUTLIER -63.44 -25.35 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.07 -19.22 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 98.1 mt -50.35 -62.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 589' ' ' ASP . . . . . 0.441 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.65 126.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -63.85 -29.19 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -60.92 -49.91 75.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.44 -44.67 34.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.441 HD12 ' C ' ' B' ' 589' ' ' ASP . 14.3 mt -51.68 -45.24 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.5 mt -49.93 -31.75 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 45.3 mtp -69.25 -24.98 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.22 -46.67 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -103.06 23.7 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 3.5 t -115.63 82.15 9.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.17 22.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -92.48 -1.14 57.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.2 t -125.31 -47.4 1.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.0 tp -50.24 -47.02 55.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -54.87 -57.65 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -45.43 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.455 ' HB3' HD21 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -56.57 -55.48 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.663 HG13 HD12 ' B' ' 581' ' ' ILE . 62.2 t -52.89 -55.9 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -55.97 -42.55 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -47.02 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.547 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -63.91 -59.39 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.99 -37.45 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.5 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.62 -26.11 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -74.76 -54.51 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.453 ' N ' HD13 ' B' ' 614' ' ' LEU . 11.0 mt-30 -55.41 -26.11 39.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.6 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.667 0.746 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.72 160.43 49.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.36 99.35 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -50.49 -28.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -77.06 58.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.0 -168.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.2 169.36 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.62 121.84 7.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD21 ' B' ' 586' ' ' LEU . 12.8 p90 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -105.6 -49.25 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.87 -30.73 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.7 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -54.08 -35.2 61.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -60.22 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 85.5 mt -51.4 -50.83 58.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.02 -37.07 94.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.07 -47.28 85.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -75.82 -28.49 58.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.7 mt -75.59 -24.46 56.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -53.62 -57.95 15.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.79 -31.54 20.2 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' B' ' 566' ' ' LEU . 41.8 mt -58.94 -58.72 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.577 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.35 -18.81 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.411 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.21 -20.66 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.45 -9.54 54.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.9 mtm -113.9 -60.61 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -130.26 72.75 81.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.87 37.27 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.583 ' HB ' HD12 ' B' ' 577' ' ' LEU . 32.4 m -55.32 -40.73 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.89 34.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.11 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.01 -41.52 68.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -58.54 -61.18 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.587 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.8 pt -63.29 -22.57 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.62 HG22 HD23 ' B' ' 586' ' ' LEU . 17.6 m -68.74 -49.06 61.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -57.98 -41.15 94.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.44 -49.26 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.587 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.8 mm? -55.82 -55.48 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.626 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.2 pp -62.75 -24.98 67.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.74 -19.45 59.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.577 HD11 HD13 ' B' ' 585' ' ' LEU . 96.6 mt -50.45 -62.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.86 128.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.76 -49.13 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -74.05 -45.11 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.03 -44.83 64.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.95 -36.91 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -87.44 -25.32 23.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 84.6 mtp -70.94 -24.16 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -49.1 -51.38 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.2 22.81 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -114.8 78.41 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.697 0.76 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -91.67 -14.14 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 38.1 t -111.69 -40.3 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.639 ' O ' HG23 ' B' ' 607' ' ' VAL . 62.0 tp -50.51 -54.74 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -53.61 -47.86 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.9 t -52.38 -53.71 41.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -55.66 -49.23 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 603' ' ' LEU . 48.5 t -50.76 -52.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.76 -41.51 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -54.48 -50.2 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.409 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.38 -52.69 60.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 607' ' ' VAL . 90.7 t -50.72 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.78 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -59.06 -23.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -73.87 -41.96 61.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -22.24 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.8 58.36 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -88.06 100.02 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.1 p -57.13 -26.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -73.35 -5.8 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.35 167.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.93 162.6 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.67 147.38 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.17 -27.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -52.02 -51.28 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -52.04 -47.31 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.21 -38.72 84.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.02 -60.23 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.403 ' O ' HD12 ' B' ' 566' ' ' LEU . 77.9 mt -51.42 -49.44 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.69 -37.1 93.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.96 -30.7 58.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.403 HD12 ' O ' ' B' ' 562' ' ' LEU . 15.3 mt -75.69 -22.61 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.12 -58.16 14.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -32.21 18.94 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.52 -55.65 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' B' ' 581' ' ' ILE . 6.5 mt -75.51 -19.74 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.25 -23.68 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.38 -14.7 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.7 mtm -108.48 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' B' ' 611' ' ' VAL . 33.9 m80 -132.19 75.18 75.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.96 34.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.472 ' HB ' HD12 ' B' ' 577' ' ' LEU . 2.8 m -62.11 -42.69 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -136.27 35.22 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.86 -56.35 10.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.11 74.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.41 -61.35 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.581 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -62.65 -23.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.406 HG22 HD23 ' B' ' 586' ' ' LEU . 17.0 m -68.28 -47.96 66.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.63 -42.05 95.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.02 -48.5 57.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 588' ' ' ILE . 2.8 mm? -56.28 -57.06 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.406 HD23 HG22 ' B' ' 582' ' ' THR . 1.3 pp -61.13 -24.98 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -76.12 -19.45 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.64 HD11 HD13 ' B' ' 585' ' ' LEU . 97.0 mt -49.77 -62.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.81 126.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.96 -29.72 70.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -46.65 88.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.41 -41.93 38.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.14 -45.61 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.8 mt -50.0 -32.78 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -91.87 -25.35 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 62.1 mtp -65.28 -33.53 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.64 -41.66 43.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.97 29.0 7.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.24 80.11 64.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.691 0.758 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -8.15 22.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -87.06 -15.2 39.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.9 t -112.19 -38.21 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 607' ' ' VAL . 55.6 tp -50.79 -50.25 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.8 m -58.69 -56.13 26.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 69.9 mmtt -51.52 -56.11 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 603' ' ' LEU . 39.0 t -50.71 -48.9 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -61.54 -41.11 96.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.06 -48.89 75.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.26 54.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.6 t -51.6 -36.5 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.43 61.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.438 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -64.4 -23.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.57 ' C ' HD13 ' B' ' 614' ' ' LEU . 2.2 tm? -70.72 -56.27 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.439 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -53.86 -40.97 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.6 Cg_endo -69.73 130.38 19.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.282 . . . . 0.0 112.375 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.35 104.2 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.92 HG21 HD23 ' B' ' 614' ' ' LEU . 2.9 p -52.43 -24.32 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.468 ' ND1' HG13 ' A' ' 80' ' ' VAL . 33.0 m80 -84.83 52.55 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.54 102.74 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 163.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -51.86 136.8 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.71 -39.47 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.74 -30.98 35.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.64 -71.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -33.57 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -60.45 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 31.0 mt -52.21 -48.43 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.25 90.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -45.78 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -75.76 -30.93 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.5 mt -75.67 -24.59 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.83 -58.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -34.35 14.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.5 mt -54.93 -57.19 12.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.457 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.64 -21.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.11 -22.92 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.14 -4.9 49.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 28.6 mtm -124.26 -57.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -125.77 70.27 65.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.57 ' HB ' HD12 ' B' ' 577' ' ' LEU . 23.0 m -67.22 -42.86 83.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.57 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.06 32.68 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.69 -54.76 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.78 -41.59 75.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -61.79 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.634 HD12 HG13 ' B' ' 607' ' ' VAL . 4.2 pt -59.97 -26.15 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.595 HG22 HD23 ' B' ' 586' ' ' LEU . 22.2 m -68.78 -45.13 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.14 -45.83 86.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -49.12 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.22 -57.77 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.595 HD23 HG22 ' B' ' 582' ' ' THR . 1.0 OUTLIER -58.76 -26.37 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.23 -19.5 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.4 mt -50.62 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.51 130.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.04 -29.71 70.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 15.3 t -59.74 -49.55 77.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.31 -44.47 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.45 -43.81 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -33.11 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.0 -26.23 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 79.0 mtp -62.92 -33.82 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.65 -43.29 46.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.68 27.51 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.3 82.16 69.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.22 -12.03 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 37.9 m -114.12 -40.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.67 -55.3 17.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -53.87 -37.76 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -48.76 78.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -59.1 -54.02 51.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.634 HG13 HD12 ' B' ' 581' ' ' ILE . 58.0 t -52.92 -55.5 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.22 -41.77 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.79 -47.4 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -59.23 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.52 -37.32 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.69 -34.97 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.56 -26.34 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.92 HD23 HG21 ' A' ' 80' ' ' VAL . 1.8 tm? -74.4 -51.3 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.33 -30.19 27.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.638 0.733 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.464 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.67 129.25 17.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -76.55 103.78 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' B' ' 614' ' ' LEU . 2.1 p -50.3 -28.06 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -77.02 59.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.77 101.57 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 176.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.47 154.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.761 0.315 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -93.97 -29.01 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.1 -47.63 65.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.517 ' O ' HD13 ' B' ' 586' ' ' LEU . 38.3 mtmt -53.4 -54.34 38.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -55.99 -39.47 71.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 2.1 mtm -59.63 -60.09 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 593' ' ' LEU . 53.0 mt -51.36 -48.01 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 563' ' ' GLY . . . . . 0.536 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -63.14 -42.51 99.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -75.53 -28.9 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.84 -22.98 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.6 -57.89 16.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.75 -32.5 18.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.2 mt -59.44 -57.04 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.595 HG21 HD11 ' B' ' 581' ' ' ILE . 8.2 mt -75.21 -19.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.74 -19.96 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.57 -9.48 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.1 mtm -114.84 -60.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -128.81 72.64 81.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.43 37.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.594 ' HB ' HD12 ' B' ' 577' ' ' LEU . 27.3 m -55.85 -41.58 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.08 34.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.16 -57.55 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.84 -41.46 75.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.31 -61.67 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.815 HD12 HG13 ' B' ' 607' ' ' VAL . 4.5 pt -63.28 -24.32 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.9 m -68.4 -41.91 79.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.67 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -48.74 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.78 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.536 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -58.89 -26.67 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.32 -19.51 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.4 mt -50.32 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.33 131.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.38 -27.93 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 13.8 t -60.85 -52.71 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.23 -45.67 59.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 562' ' ' LEU . 17.0 mt -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 594' ' ' LEU . 12.8 mt -49.09 -33.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -92.15 -27.54 17.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.6 mtp -67.59 -23.51 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.69 -53.8 17.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.9 22.05 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -114.38 81.57 6.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -87.19 -23.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 30.9 t -101.48 -39.55 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.9 tp -50.3 -62.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -33.12 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -53.77 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.44 92.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.815 HG13 HD12 ' B' ' 581' ' ' ILE . 94.9 t -55.92 -60.02 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.44 -38.66 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -58.42 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.533 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.15 -43.64 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.5 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -60.14 -22.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -71.65 -44.46 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -71.68 -33.03 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.653 0.74 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.1 9.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -114.53 103.53 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.889 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -50.59 -27.66 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -76.72 59.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -130.18 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 173.99 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -51.77 158.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.745 0.307 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -96.4 -24.91 15.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -52.03 -50.33 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -52.12 -47.64 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.25 -37.1 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.3 mtm -62.93 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 44.4 mt -52.9 -48.64 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.8 -38.19 95.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.48 -45.79 90.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -30.0 59.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.6 mt -75.89 -22.88 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.96 -58.03 15.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.77 -33.24 16.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 46.6 mt -57.89 -55.85 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.7 mt -75.55 -20.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.94 -23.15 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.87 -4.42 43.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 14.6 mtm -125.55 -57.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -124.85 69.33 56.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.76 31.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.553 ' HB ' HD12 ' B' ' 577' ' ' LEU . 36.0 m -53.96 -39.24 65.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.553 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -141.16 36.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.21 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.53 94.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.411 ' HD3' HD23 ' B' ' 577' ' ' LEU . 43.1 mtpt -54.52 -60.78 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.32 -33.18 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.473 ' O ' HD23 ' B' ' 586' ' ' LEU . 22.0 m -65.93 -30.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.47 -54.57 22.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.488 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 4.3 ptm -65.86 -41.34 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -59.47 -56.56 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.473 HD23 ' O ' ' B' ' 582' ' ' THR . 0.7 OUTLIER -60.1 -26.59 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -75.95 -19.33 58.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.6 HD11 HD13 ' B' ' 585' ' ' LEU . 86.3 mt -48.82 -61.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.34 124.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.69 -29.2 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -44.69 96.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.2 -44.75 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.29 -44.57 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.59 HD13 ' O ' ' B' ' 594' ' ' LEU . 0.6 OUTLIER -49.47 -37.72 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.71 -26.01 24.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 54.2 mtp -69.81 -24.65 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 17.0 mt -48.84 -54.64 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -95.03 21.93 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.0 t -117.67 81.47 14.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.77 -24.05 22.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.6 m -100.84 -36.39 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.4 tp -50.5 -62.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -33.17 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -61.45 -57.3 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.6 OUTLIER -57.28 -45.19 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 603' ' ' LEU . 97.9 t -53.84 -56.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -56.53 -41.63 77.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -55.3 -48.89 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.435 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.15 -58.88 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 92.3 t -50.44 -32.4 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.59 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.53 -25.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -70.71 -51.32 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.432 ' N ' HD13 ' B' ' 614' ' ' LEU . 7.2 mt-30 -58.61 -22.55 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.479 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.7 Cg_endo -69.74 152.35 69.37 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.51 101.14 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.878 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -52.73 -27.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -76.99 60.38 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.69 -169.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.63 166.25 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -51.69 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' B' ' 586' ' ' LEU . 6.5 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -25.6 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' B' ' 586' ' ' LEU . 6.3 ttpp -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -64.1 -36.78 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.7 mtp -63.73 -60.75 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.412 ' O ' HD12 ' B' ' 566' ' ' LEU . 72.6 mt -52.82 -47.5 67.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.2 93.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -44.98 96.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -31.3 58.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.721 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -76.14 -21.54 56.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -54.83 -58.16 15.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.73 -33.32 16.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.4 mt -58.26 -55.52 33.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.9 -19.94 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -57.64 -23.28 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.68 -11.75 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.3 mtm -114.18 -58.1 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.499 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.8 m-70 -128.86 73.54 81.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.64 37.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.557 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.8 m -58.4 -43.79 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -137.73 38.54 2.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.82 -50.76 32.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.49 93.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -54.97 -60.62 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.5 pt -60.88 -32.56 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.587 ' O ' HD23 ' B' ' 586' ' ' LEU . 16.7 m -66.43 -32.2 73.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.29 -53.19 34.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 5.0 ptm -67.45 -42.48 83.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -57.35 -60.0 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -62.98 -21.97 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.89 -19.31 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.61 -61.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.67 127.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.73 -27.29 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.1 t -62.61 -48.76 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.49 -43.93 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.744 HD23 ' HE2' ' B' ' 596' ' ' MET . 17.5 mt -54.02 -45.75 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.25 -32.76 17.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.95 -27.29 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.744 ' HE2' HD23 ' B' ' 593' ' ' LEU . 18.7 mtp -71.47 -21.93 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.65 -50.75 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -97.5 20.35 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.8 t -114.0 79.64 4.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.92 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.51 -16.48 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.1 m -105.78 -44.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 26.8 tp -50.24 -52.28 37.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.91 -54.54 28.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.89 -45.12 64.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -55.47 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.47 -54.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.67 -43.56 89.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.85 -46.39 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.453 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.23 -57.94 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.499 HG21 ' NE2' ' B' ' 574' ' ' HIS . 86.7 t -49.8 -34.91 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.84 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -55.07 -25.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.878 HD23 HG21 ' A' ' 80' ' ' VAL . 1.4 tm? -72.61 -55.11 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.459 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -51.95 -30.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.99 13.48 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.744 2.296 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -105.45 100.21 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.66 -25.33 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -76.17 60.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.74 -169.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.38 111.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.753 0.311 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -91.55 -24.01 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.87 -49.42 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.3 OUTLIER -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.57 -39.0 86.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.87 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.35 -51.52 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 563' ' ' GLY . . . . . 0.428 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -62.79 -34.5 89.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.53 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.54 -34.14 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.73 -19.9 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -55.82 -58.69 14.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.74 -32.6 18.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' LEU . 57.2 mt -58.72 -55.84 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.442 HG21 ' CD1' ' B' ' 581' ' ' ILE . 8.4 mt -75.36 -19.83 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -57.76 -24.25 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.32 -12.1 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.3 mtm -111.0 -58.47 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -133.18 73.89 73.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.03 37.49 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.554 ' HB ' HD12 ' B' ' 577' ' ' LEU . 37.0 m -56.74 -40.03 75.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.98 33.35 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.64 -51.56 27.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.19 92.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -54.86 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.625 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.2 pt -61.08 -32.52 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.442 ' O ' HD23 ' B' ' 586' ' ' LEU . 20.0 m -66.39 -31.51 72.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.46 -54.36 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.5 ptm -66.32 -40.97 90.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.5 mm? -60.23 -56.47 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 559' ' ' LYS . 0.7 OUTLIER -58.87 -27.68 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -75.79 -19.39 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.0 mt -49.22 -61.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.14 123.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -67.93 -28.58 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.9 t -61.42 -41.18 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -84.14 -42.06 16.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.51 -46.9 70.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -36.2 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -86.71 -24.36 25.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.6 mtm -70.46 -28.31 64.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.18 -42.06 38.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -107.24 29.68 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.7 81.81 52.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.61 26.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.67 -23.95 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.9 t -106.39 -36.05 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 607' ' ' VAL . 50.8 tp -50.89 -63.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -32.72 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.8 t -61.59 -57.61 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.584 ' HB3' HD11 ' B' ' 585' ' ' LEU . 35.0 mttp -57.12 -45.85 83.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 603' ' ' LEU . 84.9 t -53.73 -54.77 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.16 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.99 -47.38 80.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.418 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.18 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.56 -36.64 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.99 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -54.35 -25.58 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.2 tm? -73.4 -54.5 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.511 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.2 mt-30 -51.89 -31.22 27.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.591 0.71 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.88 40.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -101.15 97.68 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.11 -28.02 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -76.4 59.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.93 -169.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.7 165.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.08 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' HB2' HD21 ' B' ' 586' ' ' LEU . 16.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.757 0.313 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -79.99 -25.01 40.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -57.86 -37.9 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -64.69 -62.56 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.97 -40.55 61.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.4 mmm -61.24 -54.19 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 593' ' ' LEU . 28.8 mt -54.31 -54.14 44.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.43 -46.03 95.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.56 -45.43 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -28.3 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.6 mt -75.53 -21.49 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -57.09 -58.13 19.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.73 -30.53 22.27 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.3 mt -61.06 -58.59 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.489 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.22 -19.08 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.78 -20.85 38.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.89 8.01 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.8 mtm -137.07 -59.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.585 ' CD2' HG21 ' B' ' 611' ' ' VAL . 45.2 m80 -127.26 67.91 71.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.48 30.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.562 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.1 m -51.84 -41.36 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.562 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.1 34.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -49.27 -52.92 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.25 88.18 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.98 -61.14 2.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.296 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.609 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.6 pt -59.7 -28.45 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.869 HG22 HD23 ' B' ' 586' ' ' LEU . 21.9 m -67.95 -44.71 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.49 87.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -46.86 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -57.06 -55.39 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.869 HD23 HG22 ' B' ' 582' ' ' THR . 4.0 pp -63.52 -24.47 67.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.12 -19.4 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.417 ' CD1' HD13 ' B' ' 585' ' ' LEU . 78.8 mt -50.47 -62.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.83 129.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.24 -28.43 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.2 t -62.29 -52.82 62.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.5 -46.07 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 562' ' ' LEU . 14.8 mt -52.59 -45.77 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.79 -35.01 21.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.55 -28.05 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.2 mtm -68.3 -25.0 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.15 -45.35 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -107.14 23.47 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.9 t -115.99 80.54 9.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -89.79 -18.11 26.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.5 m -106.8 -39.85 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.538 ' O ' HG23 ' B' ' 607' ' ' VAL . 59.3 tp -50.15 -48.35 53.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -53.89 -55.16 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.9 m -51.73 -48.22 63.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -54.51 -57.76 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.7 t -51.06 -44.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.64 -39.05 91.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.44 -49.62 76.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -65.11 -57.81 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' B' ' 574' ' ' HIS . 91.8 t -51.48 -34.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.71 -34.51 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.27 -23.95 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.537 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.4 tm? -71.87 -52.9 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.438 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.3 mt-30 -55.76 -29.04 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.732 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.11 102.66 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.043 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -48.47 -30.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -80.2 57.0 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.09 104.5 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.42 165.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.64 150.57 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 586' ' ' LEU . 9.9 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -22.4 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -48.48 -43.61 34.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -57.26 -43.73 83.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.01 -41.33 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.7 mtp -61.34 -60.19 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.47 -53.36 38.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.41 98.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.07 -44.54 79.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -29.31 58.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' B' ' 569' ' ' LEU . 14.2 mt -75.82 -22.19 56.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.43 -57.97 17.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.4 Cg_endo -69.74 -30.91 21.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 566' ' ' LEU . 51.3 mt -60.66 -56.96 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.559 HG21 HD11 ' B' ' 581' ' ' ILE . 7.6 mt -75.17 -19.19 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.81 -20.96 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -89.19 9.93 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 33.0 mtm -137.64 -58.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -132.37 68.49 79.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.5 Cg_endo -69.8 -24.26 29.7 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.667 2.244 . . . . 0.0 112.363 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.483 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.8 m -51.35 -35.78 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.483 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -142.54 29.26 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -49.67 -55.01 15.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -42.49 69.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.04 -61.45 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.559 HD11 HG21 ' B' ' 570' ' ' ILE . 4.5 pt -60.74 -23.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.418 HG22 HD23 ' B' ' 586' ' ' LEU . 18.8 m -70.46 -48.65 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.82 -42.2 78.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -52.73 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.74 -53.35 40.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.1 pp -64.89 -24.88 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.24 -19.29 58.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.97 -62.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.78 127.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -65.23 -27.84 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.8 t -61.02 -49.6 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -76.44 -45.34 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.488 HD23 ' HE2' ' B' ' 596' ' ' MET . 14.3 mt -51.58 -45.27 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.9 mt -50.13 -32.23 15.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -92.05 -25.91 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.488 ' HE2' HD23 ' B' ' 593' ' ' LEU . 7.1 mtm -70.14 -23.6 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.2 -42.11 29.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.62 21.84 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.28 85.06 15.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.671 0.748 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.27 -24.3 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -102.06 -37.34 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 607' ' ' VAL . 65.0 tp -50.57 -62.15 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -32.2 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -56.18 22.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.21 -44.07 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 603' ' ' LEU . 86.5 t -54.95 -57.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -56.36 -43.98 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.77 -50.63 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.433 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.69 -57.86 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.42 -31.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.7 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.433 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.69 -26.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 1.043 HD23 HG21 ' A' ' 80' ' ' VAL . 2.2 tm? -74.98 -42.36 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -55.41 -29.02 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.668 0.747 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.01 97.12 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.18 -25.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -74.6 -5.07 40.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.8 168.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.75 166.54 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.71 158.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.823 0.344 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -75.18 -25.86 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -51.68 -46.99 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -52.81 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -57.54 -37.06 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 9.4 mtm -62.74 -60.27 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.431 HD22 HD21 ' B' ' 597' ' ' LEU . 78.0 mt -51.56 -50.28 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.54 90.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -46.41 90.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -30.16 59.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -75.85 -24.33 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.54 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.32 -57.88 13.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.73 -33.45 16.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 566' ' ' LEU . 49.7 mt -57.76 -55.7 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.1 mt -75.8 -20.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -57.61 -22.6 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.05 -4.35 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.4 mtm -125.27 -57.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.565 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.0 m-70 -124.57 69.39 53.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.79 32.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.549 ' HB ' HD12 ' B' ' 577' ' ' LEU . 38.0 m -56.58 -37.05 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -142.22 35.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.1 22.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.61 94.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -60.82 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.632 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.38 -31.84 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.441 ' O ' HD23 ' B' ' 586' ' ' LEU . 24.3 m -67.81 -31.73 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.69 39.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 2.8 ptm -68.17 -44.93 74.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -55.25 -47.91 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.456 ' O ' HD12 ' B' ' 586' ' ' LEU . 0.6 OUTLIER -70.49 -20.71 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -20.06 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.583 HD11 HD13 ' B' ' 585' ' ' LEU . 84.1 mt -48.22 -61.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.66 127.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.41 -28.2 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 22.4 t -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -74.91 -46.91 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.8 -44.15 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.53 ' O ' HD23 ' B' ' 594' ' ' LEU . 7.6 tt -49.44 -36.47 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -88.32 -26.29 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 46.1 mtp -69.21 -24.3 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.431 HD21 HD22 ' B' ' 562' ' ' LEU . 16.4 mt -48.8 -54.99 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.17 21.38 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.3 t -113.19 81.83 5.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -92.88 -18.41 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 9.2 t -103.76 -40.16 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 33.2 tp -50.29 -48.99 54.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.86 -46.87 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.7 m -58.59 -44.89 89.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -58.22 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.519 ' O ' HG23 ' B' ' 611' ' ' VAL . 61.7 t -51.37 -49.89 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.01 -43.41 98.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -53.45 -51.17 63.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.7 -55.88 22.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.565 HG21 ' NE2' ' B' ' 574' ' ' HIS . 98.8 t -50.08 -32.84 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.36 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -55.24 -25.2 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.522 ' O ' HD22 ' B' ' 614' ' ' LEU . 1.4 tm? -70.16 -52.85 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.429 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.7 mt-30 -53.5 -28.45 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.558 0.694 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 164.71 33.62 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -102.63 99.42 9.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.777 HG21 HD23 ' B' ' 614' ' ' LEU . 3.5 p -51.44 -28.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.28 66.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.95 -168.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.75 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 121.59 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.311 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.98 -46.05 64.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -55.04 -53.36 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -57.6 -37.19 72.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.9 mtm -61.73 -60.07 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.424 HD22 HD21 ' B' ' 597' ' ' LEU . 89.0 mt -51.89 -49.36 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.61 99.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -57.36 -45.93 83.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.5 -28.72 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.3 mt -75.79 -23.77 55.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.53 -57.91 15.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -32.91 17.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 44.8 mt -58.23 -55.99 27.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.427 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.4 mt -75.44 -20.33 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.61 -23.21 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.1 -4.27 43.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.8 mtm -125.49 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.02 69.41 58.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -14.37 36.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.534 ' HB ' HD12 ' B' ' 577' ' ' LEU . 59.5 m -61.08 -41.02 95.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -140.01 36.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.11 -51.36 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.04 96.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -54.43 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.8 pt -60.86 -31.69 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.47 ' O ' HD23 ' B' ' 586' ' ' LEU . 21.1 m -67.12 -32.07 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.43 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.8 ptm -66.91 -41.19 87.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.333 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.3 mm? -58.66 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 582' ' ' THR . 0.8 OUTLIER -61.35 -25.97 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.77 -19.36 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.9 mt -49.66 -62.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.39 126.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.18 -27.7 68.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 42.2 m -60.49 -48.51 81.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -76.45 -45.06 32.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.4 mt -51.67 -43.86 62.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 594' ' ' LEU . 0.4 OUTLIER -49.05 -38.25 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -86.48 -26.65 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 72.9 mtp -63.65 -33.64 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.424 HD21 HD22 ' B' ' 562' ' ' LEU . 18.9 mt -49.93 -49.81 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.17 21.99 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.3 t -122.85 80.29 49.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.65 24.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.65 -22.89 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -100.56 -34.04 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.0 tp -50.19 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -33.27 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -62.06 -54.97 33.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.2 OUTLIER -58.19 -45.76 87.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.39 -55.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -56.99 -41.18 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.41 -48.71 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.72 -59.34 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.13 -34.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.67 59.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.23 -25.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.777 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -73.29 -54.64 7.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.481 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.5 mt-30 -51.66 -36.56 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.638 0.733 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -129.14 103.05 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.042 HG21 HD23 ' B' ' 614' ' ' LEU . 4.1 p -49.12 -28.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -76.94 58.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -125.83 100.97 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 175.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -51.35 140.86 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' B' ' 586' ' ' LEU . 7.7 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.51 -29.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -52.14 -42.66 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -58.87 -59.63 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.01 -44.06 63.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 5.0 mmm -56.78 -54.66 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.03 -53.08 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.06 -46.25 94.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -45.63 70.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.15 -26.63 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.88 -24.2 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.51 -57.99 16.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.02 -58.29 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 581' ' ' ILE . 7.0 mt -75.61 -18.97 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 6.5 tt0 -57.58 -20.75 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.88 7.17 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 18.8 mtm -137.84 -59.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' B' ' 611' ' ' VAL . 49.9 m-70 -123.74 66.94 39.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -18.62 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.572 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.1 m -56.88 -43.54 81.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.572 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.48 35.68 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.27 25.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.77 -43.53 86.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.73 -60.94 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.607 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.9 pt -61.15 -24.73 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.45 HG22 HD23 ' B' ' 586' ' ' LEU . 12.0 m -68.07 -47.1 69.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.74 -45.63 90.7 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -68.3 -49.12 62.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.2 mm? -55.99 -58.37 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.2 pp -58.42 -26.66 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.13 -19.41 58.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' B' ' 585' ' ' LEU . 88.6 mt -49.96 -62.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.63 128.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.99 -30.98 72.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -64.4 -49.26 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.48 -48.1 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.593 HD23 ' SD ' ' B' ' 596' ' ' MET . 10.2 mt -53.1 -49.67 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.11 17.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -87.97 -29.74 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.593 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.4 ptm -71.54 -23.65 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.07 -42.16 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.35 21.82 16.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.4 t -120.47 82.25 32.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.694 0.759 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -86.3 -22.53 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 7.8 t -105.73 -33.34 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 607' ' ' VAL . 43.8 tp -50.55 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -32.43 38.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.9 t -61.07 -58.45 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' B' ' 585' ' ' LEU . 19.8 mmtp -57.62 -45.9 84.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 603' ' ' LEU . 67.2 t -52.84 -54.9 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.41 -41.62 85.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.11 -50.97 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.45 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.03 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.415 HG21 ' CE1' ' B' ' 574' ' ' HIS . 99.5 t -50.68 -30.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.08 -36.74 58.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.45 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.1 -27.3 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 1.042 HD23 HG21 ' A' ' 80' ' ' VAL . 2.5 tm? -75.02 -38.07 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.01 -23.92 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.34 11.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 103.84 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.639 HG21 HD23 ' B' ' 614' ' ' LEU . 2.4 p -51.3 -26.61 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.58 59.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.97 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 156.88 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -51.13 131.97 27.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.04 -40.84 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.1 -27.59 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -64.65 -66.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.73 -35.92 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -60.06 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 566' ' ' LEU . 79.7 mt -51.24 -51.11 57.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 563' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.65 -33.63 87.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.77 -48.27 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -29.23 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 562' ' ' LEU . 17.7 mt -75.93 -24.44 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.8 t80 -52.62 -57.89 14.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.653 0.739 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -34.09 15.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.9 mt -56.65 -54.89 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.0 mt -75.73 -19.14 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.39 -24.8 47.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.79 -17.35 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.5 mtm -105.1 -58.72 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.497 ' ND1' HG21 ' B' ' 611' ' ' VAL . 37.3 m80 -132.65 76.46 71.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.744 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.04 32.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.565 ' HB ' HD12 ' B' ' 577' ' ' LEU . 11.9 m -51.6 -44.56 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.565 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -137.53 36.51 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.69 -51.66 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.18 92.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -55.05 -61.03 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.623 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.3 pt -60.95 -32.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.488 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.5 m -67.1 -30.69 70.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.48 30.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.2 ptm -67.79 -42.58 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.701 HD13 HD11 ' B' ' 588' ' ' ILE . 3.4 mm? -57.7 -53.41 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.7 OUTLIER -64.7 -23.56 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.49 -19.44 58.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.701 HD11 HD13 ' B' ' 585' ' ' LEU . 92.0 mt -49.01 -61.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.35 121.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -59.25 -34.11 71.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 m -63.99 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -72.19 -50.09 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.645 HD23 ' SD ' ' B' ' 596' ' ' MET . 7.3 mt -51.62 -50.25 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.06 -25.56 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.92 -32.64 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.645 ' SD ' HD23 ' B' ' 593' ' ' LEU . 1.9 ptt? -73.44 -17.98 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.12 -51.7 50.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.42 13.12 18.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.1 t -110.03 83.72 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -90.61 -24.55 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.8 m -101.86 -37.87 8.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.638 HD12 ' CE ' ' B' ' 596' ' ' MET . 3.8 tp -49.69 -62.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -32.95 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 t -62.04 -56.64 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.571 ' HB3' HD11 ' B' ' 585' ' ' LEU . 1.1 mptp? -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.68 -56.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.97 -40.12 75.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -56.79 -48.66 77.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.403 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.48 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.497 HG21 ' ND1' ' B' ' 574' ' ' HIS . 84.7 t -50.61 -35.02 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.04 -36.01 59.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.403 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.92 -26.41 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.639 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -73.34 -46.86 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.56 -25.64 39.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.66 0.743 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.17 54.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -96.98 98.45 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.68 -26.1 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -76.49 59.45 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.14 -169.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.63 167.67 28.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -51.53 122.68 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.5 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.304 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -19.17 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -51.48 -53.13 40.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.4 OUTLIER -51.77 -48.23 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -61.5 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.1 mtm -61.98 -60.32 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.93 -48.52 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.08 99.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.49 -44.06 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -29.14 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.3 mt -75.59 -24.41 56.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.531 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.92 -57.87 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.83 -32.23 18.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.3 mt -59.21 -57.94 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 HD11 ' B' ' 581' ' ' ILE . 7.7 mt -75.17 -19.29 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.12 -20.26 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.62 3.61 43.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 16.9 mtm -133.54 -59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -123.96 68.08 44.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.97 31.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.517 ' HB ' HD12 ' B' ' 577' ' ' LEU . 50.1 m -52.25 -42.52 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.517 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.9 34.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.18 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.22 91.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -53.56 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.25 -32.83 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.9 m -65.34 -31.59 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.26 -54.81 21.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.0 ptm -65.79 -40.18 91.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.2 mm? -58.98 -57.43 13.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -60.65 -24.98 65.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -76.32 -19.39 58.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' B' ' 585' ' ' LEU . 96.8 mt -49.63 -62.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.8 126.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.59 -27.37 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 19.4 t -62.55 -49.48 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.55 -47.12 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.565 HD23 ' SD ' ' B' ' 596' ' ' MET . 11.3 mt -51.6 -50.3 60.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.66 ' O ' HD23 ' B' ' 594' ' ' LEU . 7.2 tt -51.29 -28.88 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -86.92 -31.72 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.565 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.2 ptm -69.44 -24.85 63.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.45 -50.39 31.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -100.87 26.13 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 83.9 64.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -86.25 -23.17 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.0 t -103.27 -33.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.04 -62.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -32.38 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -54.49 40.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' B' ' 585' ' ' LEU . 26.7 mmtp -59.05 -46.8 87.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 90.2 t -54.24 -55.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.75 -39.86 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.82 -47.64 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.82 -52.03 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.66 -36.91 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.05 68.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -26.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.561 HD13 ' N ' ' B' ' 615' ' ' GLN . 1.2 tm? -76.46 -59.92 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.561 ' N ' HD13 ' B' ' 614' ' ' LEU . 0.6 OUTLIER -64.65 -15.15 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.889 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.662 0.744 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.04 3.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.64 96.63 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HD23 ' B' ' 614' ' ' LEU . 13.3 p -55.32 156.43 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.62 ' ND1' HG13 ' A' ' 80' ' ' VAL . 20.0 m80 67.57 48.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.67 134.55 33.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.06 138.62 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.42 125.08 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.731 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.87 -46.81 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -58.79 -21.03 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' B' ' 586' ' ' LEU . 15.2 tttp -65.25 -59.72 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.43 -39.18 82.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -60.9 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 39.2 mt -53.34 -53.8 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.77 84.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.92 -41.23 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -75.84 -30.0 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.73 -23.06 56.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.532 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.98 -58.1 14.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.75 -32.31 18.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.74 -58.9 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 581' ' ' ILE . 7.4 mt -75.39 -18.62 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.42 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.6 OUTLIER -56.52 -23.12 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -83.42 -16.41 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.8 mtm -104.7 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -132.42 76.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -20.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.582 ' HB ' HD12 ' B' ' 577' ' ' LEU . 25.3 m -52.88 -44.34 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.33 36.0 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.95 -51.44 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.74 -45.77 94.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -60.95 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.628 ' O ' HD23 ' B' ' 585' ' ' LEU . 2.9 pt -60.71 -34.38 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.573 ' O ' HD23 ' B' ' 586' ' ' LEU . 23.5 m -65.47 -30.33 71.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.02 -54.39 24.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -39.24 83.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.3 mm? -59.56 -60.21 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.3 pp -60.71 -23.75 65.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -76.09 -19.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.515 HD13 ' NZ ' ' B' ' 606' ' ' LYS . 86.5 mt -49.56 -61.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.14 126.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -66.19 -29.38 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 3.3 t -62.06 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.22 -41.69 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.64 -46.04 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.05 29.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -86.62 -25.17 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 63.5 mtp -66.33 -33.1 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.6 mt -50.45 -46.84 56.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.12 23.17 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.99 81.07 70.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -89.55 -15.37 33.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.3 t -108.83 -39.0 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 607' ' ' VAL . 51.0 tp -51.05 -49.58 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -55.8 -46.22 78.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -57.2 -49.45 75.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 22.1 mmtp -56.2 -59.1 5.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.2 t -51.11 -51.72 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -43.8 87.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.4 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.42 -58.12 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.9 -34.0 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.38 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.4 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.4 -26.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.758 HD23 HG21 ' A' ' 80' ' ' VAL . 2.3 tm? -76.3 -34.85 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -51.63 -28.62 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.598 0.713 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.75 37.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -100.31 100.62 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.02 -28.43 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.62 79.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.89 100.76 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.53 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -156.64 155.76 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.701 ' HB2' HD21 ' B' ' 586' ' ' LEU . 5.3 p90 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.793 0.33 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -78.63 -37.55 41.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.45 -51.21 48.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -52.17 54.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -60.3 -35.77 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 1.1 mtm -63.61 -60.29 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 51.8 mt -52.69 -48.59 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.73 -34.05 87.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.52 -46.87 86.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -30.49 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.6 mt -75.81 -24.62 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.68 -58.08 12.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.72 -34.39 14.8 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 50.4 mt -55.78 -56.36 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.64 -21.6 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.82 -23.24 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.04 -6.05 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.6 mtm -122.72 -57.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -126.02 70.49 67.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -9.37 25.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.58 ' HB ' HD12 ' B' ' 577' ' ' LEU . 31.5 m -66.73 -41.74 87.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.89 35.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.02 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.29 -46.38 86.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -60.64 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.631 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.6 pt -62.47 -25.5 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.447 ' O ' HD23 ' B' ' 586' ' ' LEU . 15.5 m -71.5 -33.46 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.92 58.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.06 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.7 mm? -60.92 -57.62 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -63.31 -22.85 67.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -76.15 -19.51 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 87.9 mt -49.85 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.82 128.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.88 -28.79 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.8 t -60.85 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.0 -44.05 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.9 mt -49.34 -35.54 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -89.4 -26.5 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 47.8 mtp -69.27 -24.05 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.91 -54.92 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.65 22.59 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.2 t -113.65 79.05 4.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -91.32 -18.21 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 m -104.52 -43.58 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 607' ' ' VAL . 42.9 tp -50.44 -48.92 56.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -52.11 -57.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.3 -50.13 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.435 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -51.29 -52.97 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 603' ' ' LEU . 28.2 t -54.29 -54.08 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.43 -40.33 78.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.48 -51.23 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.1 -57.55 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.46 -36.14 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.0 60.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -55.81 -24.65 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.548 ' O ' HD22 ' B' ' 614' ' ' LEU . 1.2 tm? -73.22 -55.14 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.506 ' N ' HD13 ' B' ' 614' ' ' LEU . 5.8 mt-30 -56.85 -27.44 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.642 0.734 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.08 20.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -80.97 101.05 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' ND1' ' A' ' 81' ' ' HIS . 7.1 p -60.3 156.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.609 ' ND1' HG13 ' A' ' 80' ' ' VAL . 21.5 m80 68.9 28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.29 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.14 138.35 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.95 137.54 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.94 -23.41 13.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.77 -50.62 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -51.81 -47.7 64.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.59 -38.17 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 6.2 mtm -63.35 -59.97 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.429 ' O ' HD12 ' B' ' 566' ' ' LEU . 90.2 mt -51.64 -50.23 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.52 -32.76 84.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.17 -48.32 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -29.71 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.687 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.4 mt -75.66 -24.57 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.37 -58.06 13.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.81 -32.9 17.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.1 mt -57.32 -56.57 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.433 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.8 mt -75.25 -20.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -58.07 -23.41 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.58 -2.95 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.07 -56.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.47 ' NE2' HG21 ' B' ' 611' ' ' VAL . 90.2 m-70 -126.98 69.11 72.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -13.02 34.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.573 ' HB ' HD12 ' B' ' 577' ' ' LEU . 26.1 m -61.96 -42.5 99.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.89 36.53 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.94 -53.26 20.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.44 87.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -61.04 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.59 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.27 -24.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.61 HG22 HD23 ' B' ' 586' ' ' LEU . 13.1 m -68.72 -43.87 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -59.74 -43.91 97.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -47.2 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.59 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.6 mm? -55.59 -57.46 11.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.794 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.1 pp -62.9 -23.3 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.76 -19.4 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.528 HD11 HD13 ' B' ' 585' ' ' LEU . 96.9 mt -50.34 -62.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.26 127.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -64.84 -30.33 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 26.0 t -61.03 -49.41 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.34 -45.02 57.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.2 mt -52.62 -44.67 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -35.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.43 -27.05 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 48.2 mtp -68.2 -24.81 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.76 -51.09 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.34 23.18 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.7 t -117.29 80.81 12.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.699 0.761 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.24 -24.51 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -101.09 -36.56 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 607' ' ' VAL . 63.8 tp -50.43 -61.7 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -33.81 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -61.88 -60.32 3.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 37.6 mmtm -53.58 -45.73 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 603' ' ' LEU . 92.4 t -54.56 -53.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.02 -40.88 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.76 -51.89 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.19 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.47 HG21 ' NE2' ' B' ' 574' ' ' HIS . 97.1 t -56.42 -47.42 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.37 73.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -68.95 -26.1 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.529 HD13 ' C ' ' B' ' 614' ' ' LEU . 2.0 tm? -75.42 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.528 ' N ' HD13 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -55.83 -25.39 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.463 ' O ' HG11 ' B' ' 613' ' ' VAL . 54.3 Cg_endo -69.71 118.13 5.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.635 2.224 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -67.94 104.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.764 HG21 HD23 ' B' ' 614' ' ' LEU . 5.3 p -57.18 -20.97 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -83.1 4.19 27.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 100.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.32 163.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.87 143.53 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.91 -41.69 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -54.11 -33.12 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.99 -64.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -56.75 -36.08 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -60.28 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.58 -50.5 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 563' ' ' GLY . . . . . 0.465 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -60.95 -45.17 97.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.1 -41.23 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.354 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.58 -30.02 59.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.71 -23.64 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.32 -57.94 14.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.683 0.754 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.82 -32.0 19.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 569' ' ' LEU . 23.2 mt -59.99 -58.31 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.593 HG21 HD11 ' B' ' 581' ' ' ILE . 5.5 mt -75.01 -18.72 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 11.9 tt0 -57.8 -21.92 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.36 4.42 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 36.6 mtm -131.15 -59.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.472 ' ND1' HG21 ' B' ' 611' ' ' VAL . 40.7 m170 -132.19 70.02 80.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.515 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 54.3 Cg_endo -69.74 -27.26 26.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.489 ' HB ' HD12 ' B' ' 577' ' ' LEU . 8.8 m -50.8 -32.66 20.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.6 OUTLIER -142.75 27.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.12 -56.34 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.95 68.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.66 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.661 HD12 HG13 ' B' ' 607' ' ' VAL . 5.2 pt -62.67 -23.78 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.3 m -69.3 -45.97 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.6 -41.91 95.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 1.3 mtm -70.03 -55.06 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mp -52.31 -56.88 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.465 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -59.28 -27.46 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.37 -19.49 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 74.1 mt -50.35 -62.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 589' ' ' ASP . . . . . 0.415 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.03 127.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -60.76 -31.71 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 58.0 m -63.52 -50.86 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.63 -46.67 62.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.726 HD23 ' HE2' ' B' ' 596' ' ' MET . 10.2 mt -53.51 -45.5 69.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.11 -31.93 14.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -92.65 -25.58 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.726 ' HE2' HD23 ' B' ' 593' ' ' LEU . 16.5 mtm -70.07 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.42 -42.01 30.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.71 24.38 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.3 t -116.03 82.65 11.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.91 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -93.58 -2.23 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -47.59 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.717 ' O ' HG23 ' B' ' 607' ' ' VAL . 39.4 tp -50.28 -45.82 54.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.59 -55.18 38.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.8 t -49.35 -45.35 45.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 12.9 mmtp -60.52 -54.01 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 603' ' ' LEU . 36.7 t -51.46 -48.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.03 -41.09 99.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.79 -45.27 78.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.659 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -68.23 -57.79 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.472 HG21 ' ND1' ' B' ' 574' ' ' HIS . 67.8 t -51.07 -36.51 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.98 -32.45 59.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -57.57 -25.41 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.764 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -75.01 -53.43 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 615' ' ' GLN . . . . . 0.475 ' N ' HD13 ' B' ' 614' ' ' LEU . 13.4 mt-30 -51.32 -30.79 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm 60.35 73.09 0.67 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -10.41 28.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' VAL . 12.4 t80 -115.17 -29.42 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 77' ' ' VAL . 2.5 p 36.0 78.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' B' ' 610' ' ' ALA . 54.0 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -102.77 99.46 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -57.23 -25.49 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -74.69 -4.62 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.45 168.16 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.49 154.12 30.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -51.89 167.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.2 OUTLIER -98.42 -30.96 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.5 m -57.29 155.39 18.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 130.05 18.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.378 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -69.33 110.88 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -128.35 176.11 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp 57.51 95.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 176.38 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.33 175.33 25.94 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -27.14 26.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -120.19 159.49 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -79.59 160.59 69.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.686 0.755 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -172.1 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' B' ' 565' ' ' ARG . 44.3 mt -110.62 156.26 21.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 73.1 p -149.54 153.57 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.61 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 22.2 t -68.7 -35.84 77.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 7.0 ttt -79.29 -39.76 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.449 HD12 ' HG2' ' B' ' 558' ' ' GLN . 4.4 mm? -62.67 -25.93 68.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -76.4 -39.79 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 48.2 m -52.09 -47.55 65.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -82.97 160.41 60.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.0 Cg_endo -69.76 167.83 23.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -15.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -88.53 -25.75 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.71 -25.92 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.449 ' HG2' HD12 ' B' ' 550' ' ' LEU . 5.6 mt-30 -51.96 -49.22 63.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -51.68 -48.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.4 -39.67 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 7.3 mtm -60.75 -59.99 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 54.0 mt -51.78 -49.12 63.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.15 -39.72 98.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.446 ' HB2' HD11 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.53 -29.62 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' B' ' 569' ' ' LEU . 12.6 mt -75.59 -24.6 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.5 -57.86 14.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -32.49 18.28 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.8 mt -58.8 -58.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.456 HG21 HD11 ' B' ' 581' ' ' ILE . 8.3 mt -75.29 -18.79 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.36 -21.11 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -84.34 -7.5 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.8 mtm -118.84 -60.1 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.424 ' CE1' HG21 ' B' ' 611' ' ' VAL . 63.0 m80 -126.55 72.11 73.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -22.34 32.01 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.577 ' HB ' HD12 ' B' ' 577' ' ' LEU . 30.3 m -52.19 -43.78 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -138.89 36.28 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.54 -49.71 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.29 91.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -52.35 -60.5 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.4 pt -60.48 -34.01 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.59 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.8 m -66.34 -28.74 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -67.19 -54.02 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -40.87 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -59.45 -59.13 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -62.23 -23.01 66.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.01 -19.38 58.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.85 -62.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.81 130.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.79 -27.4 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -62.17 -51.27 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.8 mt -53.75 -44.39 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.96 -39.36 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.6 -27.38 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.4 mtp -64.3 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.78 -49.78 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.69 19.88 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -121.3 79.11 35.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.22 -23.74 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 -35.56 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 607' ' ' VAL . 58.8 tp -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.11 35.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.3 t -61.08 -57.01 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -58.05 -46.19 85.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 603' ' ' LEU . 96.0 t -52.6 -57.19 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.56 -43.25 79.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -52.89 -49.18 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.2 t -50.39 -35.92 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.28 -34.61 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.91 -22.72 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.52 HD13 ' C ' ' B' ' 614' ' ' LEU . 2.4 tm? -72.35 -57.09 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.407 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.7 mt-30 -53.71 -33.94 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -52.95 -56.48 15.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -70.81 -63.81 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -165.67 145.37 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -121.71 126.21 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -104.18 165.13 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -104.84 60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -96.92 122.09 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -166.96 70.11 1.01 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -10.67 29.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -120.81 132.55 55.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p -112.46 76.18 1.94 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' O ' HG11 ' B' ' 613' ' ' VAL . 53.3 Cg_endo -69.8 123.89 10.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -72.35 101.56 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.818 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -49.47 -29.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -77.34 58.79 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.54 103.56 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 173.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.64 145.8 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 86' ' ' VAL . 4.6 p90 -69.89 136.56 50.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 85' ' ' PHE . 0.3 OUTLIER -159.87 158.83 27.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.33 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.5 p -124.62 128.17 48.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 90' ' ' LEU . 4.8 p90 -110.05 -22.71 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD12 ' CD1' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -130.17 163.03 27.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -123.93 28.99 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.31 -178.29 15.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.84 2.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.58 16.4 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.81 160.43 27.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -169.71 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.649 HD21 ' HG3' ' B' ' 565' ' ' ARG . 0.2 OUTLIER -134.97 159.97 39.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 20.4 p -134.98 176.08 8.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.446 ' HB2' HD11 ' B' ' 594' ' ' LEU . . . -51.67 -30.07 20.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 42.5 t -62.85 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.9 ttt -79.54 -25.25 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.593 HD12 ' NE2' ' B' ' 558' ' ' GLN . 0.2 OUTLIER -64.44 -28.51 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.56 63.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 2.5 t -55.23 -26.5 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -104.54 160.4 26.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.74 167.93 22.99 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.43 34.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -97.03 0.4 48.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -116.01 -21.34 9.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.593 ' NE2' HD12 ' B' ' 550' ' ' LEU . 49.2 mt-30 -48.44 -45.44 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -56.17 -43.31 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -62.93 -42.31 99.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.4 mtp -60.53 -60.24 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.66 -49.07 63.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.25 99.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.86 -44.43 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.649 ' HG3' HD21 ' B' ' 545' ' ' LEU . 1.1 mmp_? -75.88 -29.15 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.0 mt -75.74 -22.3 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.5 -57.98 17.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.79 -30.98 21.28 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.5 mt -60.52 -55.99 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.598 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.45 -19.51 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -57.9 -20.79 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -88.45 9.79 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.6 mtm -139.2 -59.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -130.28 67.53 80.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.573 0.702 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.1 Cg_endo -69.75 -24.39 29.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.527 ' HB ' HD12 ' B' ' 577' ' ' LEU . 18.2 m -51.11 -37.66 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.26 30.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.11 -55.83 13.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.65 -41.31 65.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.24 -62.35 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.663 HD12 HG13 ' B' ' 607' ' ' VAL . 4.6 pt -60.19 -24.88 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.469 HG22 HD23 ' B' ' 586' ' ' LEU . 21.7 m -69.43 -46.4 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.57 -43.21 85.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -52.23 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 606' ' ' LYS . 4.0 mp -54.39 -53.56 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.469 HD23 HG22 ' B' ' 582' ' ' THR . 0.7 OUTLIER -63.44 -25.35 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.07 -19.22 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 98.1 mt -50.35 -62.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 589' ' ' ASP . . . . . 0.441 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.65 126.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -63.85 -29.19 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -60.92 -49.91 75.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.44 -44.67 34.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.441 HD12 ' C ' ' B' ' 589' ' ' ASP . 14.3 mt -51.68 -45.24 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' B' ' 547' ' ' ALA . 1.5 mt -49.93 -31.75 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 45.3 mtp -69.25 -24.98 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.22 -46.67 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -103.06 23.7 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 3.5 t -115.63 82.15 9.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.17 22.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -92.48 -1.14 57.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.2 t -125.31 -47.4 1.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.0 tp -50.24 -47.02 55.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -54.87 -57.65 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -45.43 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.455 ' HB3' HD21 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -56.57 -55.48 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.663 HG13 HD12 ' B' ' 581' ' ' ILE . 62.2 t -52.89 -55.9 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -55.97 -42.55 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -47.02 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.547 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -63.91 -59.39 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.99 -37.45 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.5 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.62 -26.11 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -74.76 -54.51 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.453 ' N ' HD13 ' B' ' 614' ' ' LEU . 11.0 mt-30 -55.41 -26.11 39.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -77.08 -27.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -81.99 179.8 7.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -153.93 -63.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -168.77 166.99 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -106.66 -24.85 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -57.69 139.47 53.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -76.54 -73.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -104.33 160.63 25.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.549 0.69 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 101.21 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -59.01 141.64 53.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.6 p -112.84 75.56 1.96 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.72 160.43 49.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.36 99.35 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -50.49 -28.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -77.06 58.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.0 -168.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.2 169.36 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.606 ' HB3' HG22 ' A' ' 86' ' ' VAL . 31.3 mt-10 -51.62 121.84 7.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD21 ' B' ' 586' ' ' LEU . 12.8 p90 -51.77 -30.68 23.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 84' ' ' GLU . 5.9 m -58.7 155.41 30.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.38 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -93.36 133.5 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -137.56 175.94 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.88 26.55 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 162.58 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.69 -171.64 5.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -17.8 37.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.34 161.29 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -129.7 137.43 30.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.709 0.766 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.36 1.47 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.242 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.8 146.94 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 21.0 p -145.51 -178.7 6.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.48 69.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 5.8 m -58.37 -23.43 56.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 14.1 ttt -78.06 -64.45 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.545 HD22 ' HG2' ' B' ' 558' ' ' GLN . 40.9 mt -60.67 -19.71 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . 59.55 41.11 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.8 t 55.21 26.66 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -52.6 160.5 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.74 167.93 22.99 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -11.1 30.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -80.75 -26.0 37.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -105.6 -49.25 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.545 ' HG2' HD22 ' B' ' 550' ' ' LEU . 25.1 mt-30 -51.87 -30.73 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.7 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -54.08 -35.2 61.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -60.22 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 85.5 mt -51.4 -50.83 58.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.02 -37.07 94.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.07 -47.28 85.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -75.82 -28.49 58.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.7 mt -75.59 -24.46 56.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -53.62 -57.95 15.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.79 -31.54 20.2 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' B' ' 566' ' ' LEU . 41.8 mt -58.94 -58.72 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.577 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.35 -18.81 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.411 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.21 -20.66 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.45 -9.54 54.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.9 mtm -113.9 -60.61 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -130.26 72.75 81.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.87 37.27 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.583 ' HB ' HD12 ' B' ' 577' ' ' LEU . 32.4 m -55.32 -40.73 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.89 34.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.11 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.01 -41.52 68.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -58.54 -61.18 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.587 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.8 pt -63.29 -22.57 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.62 HG22 HD23 ' B' ' 586' ' ' LEU . 17.6 m -68.74 -49.06 61.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -57.98 -41.15 94.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.44 -49.26 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.587 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.8 mm? -55.82 -55.48 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.626 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.2 pp -62.75 -24.98 67.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.74 -19.45 59.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.577 HD11 HD13 ' B' ' 585' ' ' LEU . 96.6 mt -50.45 -62.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.86 128.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.76 -49.13 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -74.05 -45.11 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.03 -44.83 64.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.95 -36.91 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -87.44 -25.32 23.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 84.6 mtp -70.94 -24.16 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -49.1 -51.38 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.2 22.81 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -114.8 78.41 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.697 0.76 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -91.67 -14.14 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 38.1 t -111.69 -40.3 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.639 ' O ' HG23 ' B' ' 607' ' ' VAL . 62.0 tp -50.51 -54.74 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -53.61 -47.86 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.9 t -52.38 -53.71 41.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -55.66 -49.23 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 603' ' ' LEU . 48.5 t -50.76 -52.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.76 -41.51 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -54.48 -50.2 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.409 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.38 -52.69 60.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 607' ' ' VAL . 90.7 t -50.72 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.78 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -59.06 -23.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -73.87 -41.96 61.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -22.24 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -94.23 32.35 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -151.96 142.88 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -101.18 126.14 47.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -176.41 -176.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -130.26 -179.87 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -111.89 48.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 53.63 41.4 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 54.21 68.37 2.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 132.93 24.33 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -53.95 144.04 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.37 73.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.8 58.36 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -88.06 100.02 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' B' ' 617' ' ' HIS . 2.1 p -57.13 -26.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -73.35 -5.8 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.35 167.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.93 162.6 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.67 147.38 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CE1' HG13 ' A' ' 86' ' ' VAL . 2.0 p90 -74.75 -29.45 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 85' ' ' PHE . 12.2 m -66.65 154.72 90.86 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.657 0.742 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -118.16 109.37 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -119.66 -25.06 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.7 tp -152.31 160.11 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -123.83 39.89 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 176.63 37.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -171.54 0.48 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -97.16 69.26 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.88 160.3 0.12 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.19 2.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.741 HD21 ' HG3' ' B' ' 565' ' ' ARG . 3.5 mp -109.3 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 64.9 p -151.06 154.47 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.9 -33.99 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 8.3 t -56.06 -28.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.1 ttt -89.8 -34.52 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.23 -21.02 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -94.16 20.89 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.6 t -117.95 -29.53 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -106.98 160.36 26.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.535 0.683 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.7 167.91 23.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.11 34.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -84.17 -25.78 29.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.17 -27.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -52.02 -51.28 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -52.04 -47.31 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.21 -38.72 84.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.02 -60.23 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.403 ' O ' HD12 ' B' ' 566' ' ' LEU . 77.9 mt -51.42 -49.44 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.69 -37.1 93.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.741 ' HG3' HD21 ' B' ' 545' ' ' LEU . 1.4 mmp_? -75.96 -30.7 58.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.403 HD12 ' O ' ' B' ' 562' ' ' LEU . 15.3 mt -75.69 -22.61 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.12 -58.16 14.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -32.21 18.94 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.52 -55.65 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' B' ' 581' ' ' ILE . 6.5 mt -75.51 -19.74 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.25 -23.68 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.38 -14.7 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.7 mtm -108.48 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' B' ' 611' ' ' VAL . 33.9 m80 -132.19 75.18 75.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.96 34.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.472 ' HB ' HD12 ' B' ' 577' ' ' LEU . 2.8 m -62.11 -42.69 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -136.27 35.22 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.86 -56.35 10.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.11 74.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.41 -61.35 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.581 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -62.65 -23.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.406 HG22 HD23 ' B' ' 586' ' ' LEU . 17.0 m -68.28 -47.96 66.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.63 -42.05 95.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.02 -48.5 57.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 588' ' ' ILE . 2.8 mm? -56.28 -57.06 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.406 HD23 HG22 ' B' ' 582' ' ' THR . 1.3 pp -61.13 -24.98 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -76.12 -19.45 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.64 HD11 HD13 ' B' ' 585' ' ' LEU . 97.0 mt -49.77 -62.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.81 126.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.96 -29.72 70.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -46.65 88.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.41 -41.93 38.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.14 -45.61 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.8 mt -50.0 -32.78 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -91.87 -25.35 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 62.1 mtp -65.28 -33.53 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.64 -41.66 43.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.97 29.0 7.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.24 80.11 64.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.691 0.758 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -8.15 22.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -87.06 -15.2 39.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.9 t -112.19 -38.21 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 607' ' ' VAL . 55.6 tp -50.79 -50.25 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.8 m -58.69 -56.13 26.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 69.9 mmtt -51.52 -56.11 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 603' ' ' LEU . 39.0 t -50.71 -48.9 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -61.54 -41.11 96.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.06 -48.89 75.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.26 54.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.6 t -51.6 -36.5 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.43 61.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.438 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -64.4 -23.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.57 HD13 ' C ' ' B' ' 614' ' ' LEU . 2.2 tm? -70.72 -56.27 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.439 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -53.86 -40.97 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.9 71.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.442 ' HB2' HG11 ' A' ' 80' ' ' VAL . 39.3 t-80 -63.46 -27.34 69.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -54.3 -56.78 15.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.74 159.55 32.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 620' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 623' ' ' ALA . 30.1 mtmm -127.15 83.08 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.27 -29.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -98.42 48.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' B' ' 620' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.813 0.34 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -66.16 160.74 62.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 177.97 5.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -57.77 138.15 55.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.14 73.61 1.74 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.6 Cg_endo -69.73 130.38 19.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.282 . . . . 0.0 112.375 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.35 104.2 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.92 HG21 HD23 ' B' ' 614' ' ' LEU . 2.9 p -52.43 -24.32 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.468 ' ND1' HG13 ' A' ' 80' ' ' VAL . 33.0 m80 -84.83 52.55 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.54 102.74 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 163.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -51.86 136.8 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -56.67 -27.01 57.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -104.98 133.33 20.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.4 Cg_endo -69.79 175.06 8.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m 63.49 50.06 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' HE1' HD13 ' A' ' 90' ' ' LEU . 35.4 p90 -108.95 -23.42 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD13 ' HE1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -116.87 -63.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.49 164.85 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 61.99 -177.05 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 176.75 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.89 35.98 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -121.27 160.57 45.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.8 2.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.538 HD13 ' HG3' ' B' ' 565' ' ' ARG . 1.8 pt? -75.41 150.78 38.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 34.4 p -138.54 164.97 28.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 1.039 ' HB2' HD11 ' B' ' 594' ' ' LEU . . . -59.09 -20.29 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 18.8 t -67.01 -37.95 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -91.17 -31.18 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.497 HD11 ' HG2' ' B' ' 558' ' ' GLN . 0.6 OUTLIER -71.57 -27.75 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.64 -19.01 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 m -93.9 16.68 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -120.52 160.08 45.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.698 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -10.42 28.53 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.697 2.264 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.19 -23.61 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.71 -39.47 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.497 ' HG2' HD11 ' B' ' 550' ' ' LEU . 0.6 OUTLIER -52.74 -30.98 35.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.64 -71.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -33.57 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -60.45 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 31.0 mt -52.21 -48.43 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.25 90.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -45.78 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.538 ' HG3' HD13 ' B' ' 545' ' ' LEU . 6.8 mmp_? -75.76 -30.93 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.5 mt -75.67 -24.59 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.83 -58.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -34.35 14.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.5 mt -54.93 -57.19 12.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.457 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.64 -21.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.11 -22.92 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.14 -4.9 49.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 28.6 mtm -124.26 -57.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -125.77 70.27 65.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.57 ' HB ' HD12 ' B' ' 577' ' ' LEU . 23.0 m -67.22 -42.86 83.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.57 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.06 32.68 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.69 -54.76 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.78 -41.59 75.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -61.79 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.634 HD12 HG13 ' B' ' 607' ' ' VAL . 4.2 pt -59.97 -26.15 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.595 HG22 HD23 ' B' ' 586' ' ' LEU . 22.2 m -68.78 -45.13 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.14 -45.83 86.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -49.12 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.22 -57.77 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.595 HD23 HG22 ' B' ' 582' ' ' THR . 1.0 OUTLIER -58.76 -26.37 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.23 -19.5 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.4 mt -50.62 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.51 130.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.04 -29.71 70.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 15.3 t -59.74 -49.55 77.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.31 -44.47 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.45 -43.81 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 1.039 HD11 ' HB2' ' B' ' 547' ' ' ALA . 0.4 OUTLIER -49.21 -33.11 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.0 -26.23 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 79.0 mtp -62.92 -33.82 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.65 -43.29 46.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.68 27.51 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.3 82.16 69.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.22 -12.03 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 37.9 m -114.12 -40.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.67 -55.3 17.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -53.87 -37.76 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -48.76 78.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -59.1 -54.02 51.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.634 HG13 HD12 ' B' ' 581' ' ' ILE . 58.0 t -52.92 -55.5 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.22 -41.77 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.79 -47.4 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -59.23 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.52 -37.32 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.69 -34.97 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.56 -26.34 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.92 HD23 HG21 ' A' ' 80' ' ' VAL . 1.8 tm? -74.4 -51.3 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.33 -30.19 27.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.5 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -67.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -110.65 140.97 44.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -155.21 -173.58 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -136.95 178.94 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.99 -38.4 90.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.87 80.52 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.913 0.387 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -100.48 160.68 26.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.551 0.691 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.66 3.45 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.66 132.97 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.4 p -112.43 75.92 1.86 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.638 0.733 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.464 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.67 129.25 17.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -76.55 103.78 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' B' ' 614' ' ' LEU . 2.1 p -50.3 -28.06 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -77.02 59.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.77 101.57 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 176.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.47 154.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -76.54 179.53 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG22 ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER 65.54 148.94 0.11 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.665 ' HD2' HG22 ' A' ' 86' ' ' VAL . 53.4 Cg_endo -69.79 82.33 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -97.89 145.4 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -130.08 26.51 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.97 177.5 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 26.43 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.04 172.7 13.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.68 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.391 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -151.15 136.7 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -99.97 160.54 26.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.55 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.639 HD23 ' CD1' ' B' ' 550' ' ' LEU . 8.6 mp -112.35 147.37 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 24.4 p -126.54 171.65 10.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.65 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 16.8 t -68.01 -30.4 69.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.4 ttt -77.97 -51.16 10.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.676 HD23 ' OE1' ' B' ' 558' ' ' GLN . 0.7 OUTLIER -58.39 -34.0 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.74 -29.9 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 14.3 m -57.77 -26.16 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -98.81 160.43 27.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 111.053 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.5 Cg_endo -69.74 167.92 23.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.97 35.39 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -91.39 -25.27 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -93.97 -29.01 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.676 ' OE1' HD23 ' B' ' 550' ' ' LEU . 6.3 mt-30 -52.1 -47.63 65.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.517 ' O ' HD13 ' B' ' 586' ' ' LEU . 38.3 mtmt -53.4 -54.34 38.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -55.99 -39.47 71.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 2.1 mtm -59.63 -60.09 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 593' ' ' LEU . 53.0 mt -51.36 -48.01 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 563' ' ' GLY . . . . . 0.536 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -63.14 -42.51 99.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.585 ' HG3' HD22 ' B' ' 545' ' ' LEU . 1.2 mmp_? -75.53 -28.9 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.84 -22.98 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.6 -57.89 16.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.75 -32.5 18.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.2 mt -59.44 -57.04 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.595 HG21 HD11 ' B' ' 581' ' ' ILE . 8.2 mt -75.21 -19.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.74 -19.96 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.57 -9.48 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.1 mtm -114.84 -60.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -128.81 72.64 81.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.43 37.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.594 ' HB ' HD12 ' B' ' 577' ' ' LEU . 27.3 m -55.85 -41.58 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.08 34.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.16 -57.55 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.84 -41.46 75.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.31 -61.67 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.815 HD12 HG13 ' B' ' 607' ' ' VAL . 4.5 pt -63.28 -24.32 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.9 m -68.4 -41.91 79.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.67 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -48.74 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.78 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.536 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -58.89 -26.67 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.32 -19.51 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.4 mt -50.32 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.33 131.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.38 -27.93 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 13.8 t -60.85 -52.71 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.23 -45.67 59.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 562' ' ' LEU . 17.0 mt -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 594' ' ' LEU . 12.8 mt -49.09 -33.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -92.15 -27.54 17.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.6 mtp -67.59 -23.51 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.69 -53.8 17.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.9 22.05 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -114.38 81.57 6.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -87.19 -23.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 30.9 t -101.48 -39.55 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.9 tp -50.3 -62.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -33.12 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -53.77 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.44 92.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.815 HG13 HD12 ' B' ' 581' ' ' ILE . 94.9 t -55.92 -60.02 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.44 -38.66 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -58.42 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.533 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.15 -43.64 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.5 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -60.14 -22.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -71.65 -44.46 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -71.68 -33.03 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -54.27 -49.03 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.64 -68.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -144.9 177.14 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -159.0 123.6 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -127.99 174.84 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.6 133.61 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -94.58 -36.37 11.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 58.17 71.19 1.07 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 177.03 6.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.617 2.211 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.74 146.2 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.0 t -113.83 72.43 2.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.74 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.1 9.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -114.53 103.53 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.889 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -50.59 -27.66 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -76.72 59.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -130.18 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 173.99 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -51.77 158.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -86.67 138.6 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.667 HG22 ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER 178.69 149.25 0.41 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 111.13 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 86' ' ' VAL . 53.4 Cg_endo -69.81 -49.28 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.246 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.1 p -61.01 136.68 58.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -114.53 -26.32 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 -64.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -80.84 156.73 25.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.4 68.0 1.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -170.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -122.37 16.3 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.45 160.68 16.98 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -178.32 2.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.606 HD11 ' HG3' ' B' ' 565' ' ' ARG . 66.2 mt -115.22 151.31 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 545' ' ' LEU . 0.8 OUTLIER -160.31 176.19 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.57 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 18.2 t -69.25 -26.31 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 8.7 ttt -93.63 -41.6 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.627 ' O ' HD13 ' B' ' 550' ' ' LEU . 3.2 tm? -63.17 -28.67 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -83.94 -28.91 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 22.6 t -53.12 -49.7 65.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -74.26 160.4 81.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.701 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.78 167.83 23.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -12.1 32.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -93.94 -24.83 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -96.4 -24.91 15.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -52.03 -50.33 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -52.12 -47.64 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.25 -37.1 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.3 mtm -62.93 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 44.4 mt -52.9 -48.64 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.8 -38.19 95.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.48 -45.79 90.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.606 ' HG3' HD11 ' B' ' 545' ' ' LEU . 1.0 OUTLIER -75.65 -30.0 59.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.6 mt -75.89 -22.88 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.96 -58.03 15.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.77 -33.24 16.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 46.6 mt -57.89 -55.85 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.7 mt -75.55 -20.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.94 -23.15 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.87 -4.42 43.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 14.6 mtm -125.55 -57.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -124.85 69.33 56.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.76 31.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.553 ' HB ' HD12 ' B' ' 577' ' ' LEU . 36.0 m -53.96 -39.24 65.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.553 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -141.16 36.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.21 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.53 94.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.411 ' HD3' HD23 ' B' ' 577' ' ' LEU . 43.1 mtpt -54.52 -60.78 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.32 -33.18 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.473 ' O ' HD23 ' B' ' 586' ' ' LEU . 22.0 m -65.93 -30.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.47 -54.57 22.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.488 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 4.3 ptm -65.86 -41.34 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -59.47 -56.56 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.473 HD23 ' O ' ' B' ' 582' ' ' THR . 0.7 OUTLIER -60.1 -26.59 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -75.95 -19.33 58.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.6 HD11 HD13 ' B' ' 585' ' ' LEU . 86.3 mt -48.82 -61.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.34 124.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.69 -29.2 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -44.69 96.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.2 -44.75 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.29 -44.57 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.59 HD13 ' O ' ' B' ' 594' ' ' LEU . 0.6 OUTLIER -49.47 -37.72 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.71 -26.01 24.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 54.2 mtp -69.81 -24.65 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 17.0 mt -48.84 -54.64 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -95.03 21.93 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.0 t -117.67 81.47 14.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.77 -24.05 22.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.6 m -100.84 -36.39 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.4 tp -50.5 -62.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -33.17 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -61.45 -57.3 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.6 OUTLIER -57.28 -45.19 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 603' ' ' LEU . 97.9 t -53.84 -56.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -56.53 -41.63 77.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -55.3 -48.89 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.435 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.15 -58.88 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 92.3 t -50.44 -32.4 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.59 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.53 -25.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -70.71 -51.32 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.432 ' N ' HD13 ' B' ' 614' ' ' LEU . 7.2 mt-30 -58.61 -22.55 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -81.09 -0.6 40.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -98.84 176.32 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -135.8 -58.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.67 179.43 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -153.57 121.98 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -160.72 131.11 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 55.4 53.66 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.09 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.826 0.346 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -163.21 69.56 1.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.35 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.38 146.23 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.7 72.68 2.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.479 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.7 Cg_endo -69.74 152.35 69.37 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.51 101.14 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.878 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -52.73 -27.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -76.99 60.38 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.69 -169.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.63 166.25 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -51.69 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' B' ' 586' ' ' LEU . 6.5 p90 -67.9 -25.87 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -118.03 133.34 23.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.6 Cg_endo -69.8 136.84 33.9 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.0 p -82.55 177.29 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' A' ' 90' ' ' LEU . 8.1 p90 -115.57 -20.18 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 89' ' ' PHE . 12.5 mt -127.07 129.3 47.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -29.13 21.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.95 165.97 6.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 133.58 25.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.275 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.819 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -109.41 150.62 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.25 132.46 1.4 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.68 0.753 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.21 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.48 ' HB2' HD13 ' B' ' 597' ' ' LEU . 3.3 mt -112.88 158.59 20.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 29.1 p -133.46 163.04 30.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -66.21 -13.71 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 31.3 t -78.5 -41.29 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.481 ' HG3' HD22 ' B' ' 550' ' ' LEU . 9.0 ptp -79.38 -30.92 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.523 HD12 ' HG2' ' B' ' 558' ' ' GLN . 3.7 mm? -78.15 -24.95 47.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -77.48 -34.25 54.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 61.7 m -52.25 -31.32 31.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -104.1 160.58 25.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.81 168.49 21.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.27 . . . . 0.0 112.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -24.3 29.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -77.16 -22.28 52.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -25.6 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.523 ' HG2' HD12 ' B' ' 550' ' ' LEU . 2.1 mt-30 -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' B' ' 586' ' ' LEU . 6.3 ttpp -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -64.1 -36.78 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.7 mtp -63.73 -60.75 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.47 HD23 HD12 ' B' ' 545' ' ' LEU . 72.6 mt -52.82 -47.5 67.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.2 93.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -44.98 96.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -31.3 58.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.721 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -76.14 -21.54 56.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -54.83 -58.16 15.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.73 -33.32 16.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.4 mt -58.26 -55.52 33.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.9 -19.94 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -57.64 -23.28 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.68 -11.75 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.3 mtm -114.18 -58.1 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.499 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.8 m-70 -128.86 73.54 81.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.64 37.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.557 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.8 m -58.4 -43.79 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -137.73 38.54 2.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.82 -50.76 32.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.49 93.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -54.97 -60.62 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.5 pt -60.88 -32.56 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.587 ' O ' HD23 ' B' ' 586' ' ' LEU . 16.7 m -66.43 -32.2 73.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.29 -53.19 34.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 5.0 ptm -67.45 -42.48 83.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -57.35 -60.0 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -62.98 -21.97 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.89 -19.31 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.61 -61.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.67 127.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.73 -27.29 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.1 t -62.61 -48.76 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.49 -43.93 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.744 HD23 ' HE2' ' B' ' 596' ' ' MET . 17.5 mt -54.02 -45.75 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.25 -32.76 17.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.95 -27.29 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.744 ' HE2' HD23 ' B' ' 593' ' ' LEU . 18.7 mtp -71.47 -21.93 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' B' ' 545' ' ' LEU . 15.7 mt -48.65 -50.75 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -97.5 20.35 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.8 t -114.0 79.64 4.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.92 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.51 -16.48 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.1 m -105.78 -44.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 26.8 tp -50.24 -52.28 37.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.91 -54.54 28.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.89 -45.12 64.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -55.47 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.47 -54.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.67 -43.56 89.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.85 -46.39 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.453 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.23 -57.94 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.499 HG21 ' NE2' ' B' ' 574' ' ' HIS . 86.7 t -49.8 -34.91 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.84 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -55.07 -25.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.878 HD23 HG21 ' A' ' 80' ' ' VAL . 1.4 tm? -72.61 -55.11 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.459 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -51.95 -30.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.56 79.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -58.11 -71.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -102.39 142.91 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -173.17 153.87 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -24.98 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.48 88.49 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -114.12 140.42 48.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 60.12 73.72 0.62 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.89 13.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -121.01 -42.03 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t 68.56 65.7 0.56 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.99 13.48 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.744 2.296 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -105.45 100.21 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.66 -25.33 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -76.17 60.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.74 -169.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.38 111.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -52.05 -29.52 21.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -90.54 133.29 33.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.84 114.1 3.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.3 t -119.42 75.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.662 ' CE1' HD23 ' A' ' 90' ' ' LEU . 38.4 p90 -73.59 -30.71 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.662 HD23 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -101.58 133.44 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 178.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.28 -169.12 11.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.14 66.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.292 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.874 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -114.54 87.68 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.24 160.82 39.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -178.46 2.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.672 HD22 ' HG3' ' B' ' 565' ' ' ARG . 7.1 mp -109.88 172.34 6.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 34.0 p -152.05 151.19 30.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.6 -47.19 76.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 22.9 t -53.22 -28.73 28.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.4 ttp -81.37 -33.7 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' B' ' 561' ' ' MET . 4.2 mm? -64.57 -22.87 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.76 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 3.6 t -55.15 -27.53 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -95.68 160.7 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.79 167.98 22.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.68 35.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -91.55 -24.01 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.87 -49.42 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.3 OUTLIER -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.57 -39.0 86.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.432 ' HB2' HD11 ' B' ' 550' ' ' LEU . 4.9 mmm -61.87 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.35 -51.52 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 563' ' ' GLY . . . . . 0.428 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -62.79 -34.5 89.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.53 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.672 ' HG3' HD22 ' B' ' 545' ' ' LEU . 9.0 mmm180 -76.54 -34.14 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.73 -19.9 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -55.82 -58.69 14.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.74 -32.6 18.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' LEU . 57.2 mt -58.72 -55.84 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.442 HG21 ' CD1' ' B' ' 581' ' ' ILE . 8.4 mt -75.36 -19.83 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -57.76 -24.25 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.32 -12.1 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.3 mtm -111.0 -58.47 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -133.18 73.89 73.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.03 37.49 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.554 ' HB ' HD12 ' B' ' 577' ' ' LEU . 37.0 m -56.74 -40.03 75.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.98 33.35 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.64 -51.56 27.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.19 92.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -54.86 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.625 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.2 pt -61.08 -32.52 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.442 ' O ' HD23 ' B' ' 586' ' ' LEU . 20.0 m -66.39 -31.51 72.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.46 -54.36 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.5 ptm -66.32 -40.97 90.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.5 mm? -60.23 -56.47 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 559' ' ' LYS . 0.7 OUTLIER -58.87 -27.68 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -75.79 -19.39 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.0 mt -49.22 -61.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.14 123.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -67.93 -28.58 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.9 t -61.42 -41.18 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -84.14 -42.06 16.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.51 -46.9 70.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -36.2 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -86.71 -24.36 25.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.6 mtm -70.46 -28.31 64.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.18 -42.06 38.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -107.24 29.68 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.7 81.81 52.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.61 26.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.67 -23.95 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.9 t -106.39 -36.05 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 607' ' ' VAL . 50.8 tp -50.89 -63.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -32.72 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.8 t -61.59 -57.61 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.584 ' HB3' HD11 ' B' ' 585' ' ' LEU . 35.0 mttp -57.12 -45.85 83.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 603' ' ' LEU . 84.9 t -53.73 -54.77 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.16 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.99 -47.38 80.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.418 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.18 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.56 -36.64 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.99 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -54.35 -25.58 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.2 tm? -73.4 -54.5 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.511 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.2 mt-30 -51.89 -31.22 27.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.4 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -66.94 -49.71 64.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -132.78 125.67 30.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -124.56 93.88 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -170.09 129.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -118.97 151.26 38.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.57 125.31 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 155.69 2.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 158.1 58.22 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.68 -43.03 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t 67.95 65.52 0.62 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.88 40.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -101.15 97.68 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.11 -28.02 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -76.4 59.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.93 -169.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.7 165.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.08 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' HB2' HD21 ' B' ' 586' ' ' LEU . 16.0 p90 -51.19 132.91 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 85' ' ' PHE . 2.9 t -157.44 133.78 6.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.31 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -159.96 157.36 28.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -110.8 -176.17 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 90' ' ' LEU . 3.0 tp 63.73 37.37 10.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.42 169.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.97 -176.51 47.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.49 66.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.01 138.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -155.7 160.48 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -174.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.592 HD21 ' HD2' ' B' ' 565' ' ' ARG . 25.2 mt -131.84 160.04 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 13.3 p -149.33 143.39 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.464 ' HA ' HD22 ' B' ' 594' ' ' LEU . . . -54.26 -27.21 33.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 8.1 t -74.89 -35.05 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.9 ttt -81.91 -49.68 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.55 HD23 ' OE1' ' B' ' 558' ' ' GLN . 0.3 OUTLIER -59.73 -32.05 70.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.9 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 69.0 m -64.57 -26.32 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -90.4 160.42 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.77 167.9 23.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -14.47 36.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -89.61 -35.87 15.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -79.99 -25.01 40.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.55 ' OE1' HD23 ' B' ' 550' ' ' LEU . 10.2 mt-30 -57.86 -37.9 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -64.69 -62.56 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.97 -40.55 61.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.4 mmm -61.24 -54.19 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 593' ' ' LEU . 28.8 mt -54.31 -54.14 44.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.43 -46.03 95.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.56 -45.43 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.592 ' HD2' HD21 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.9 -28.3 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.6 mt -75.53 -21.49 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -57.09 -58.13 19.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.73 -30.53 22.27 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.3 mt -61.06 -58.59 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.489 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.22 -19.08 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.78 -20.85 38.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.89 8.01 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.8 mtm -137.07 -59.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.585 ' CD2' HG21 ' B' ' 611' ' ' VAL . 45.2 m80 -127.26 67.91 71.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.48 30.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.562 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.1 m -51.84 -41.36 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.562 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.1 34.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -49.27 -52.92 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.25 88.18 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.98 -61.14 2.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.296 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.609 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.6 pt -59.7 -28.45 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.869 HG22 HD23 ' B' ' 586' ' ' LEU . 21.9 m -67.95 -44.71 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.49 87.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -46.86 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -57.06 -55.39 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.869 HD23 HG22 ' B' ' 582' ' ' THR . 4.0 pp -63.52 -24.47 67.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.12 -19.4 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.417 ' CD1' HD13 ' B' ' 585' ' ' LEU . 78.8 mt -50.47 -62.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.83 129.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.24 -28.43 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.2 t -62.29 -52.82 62.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.5 -46.07 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 562' ' ' LEU . 14.8 mt -52.59 -45.77 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' B' ' 547' ' ' ALA . 13.3 mt -49.79 -35.01 21.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.55 -28.05 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.2 mtm -68.3 -25.0 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' B' ' 545' ' ' LEU . 15.8 mt -49.15 -45.35 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -107.14 23.47 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.9 t -115.99 80.54 9.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -89.79 -18.11 26.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.5 m -106.8 -39.85 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.538 ' O ' HG23 ' B' ' 607' ' ' VAL . 59.3 tp -50.15 -48.35 53.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -53.89 -55.16 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.9 m -51.73 -48.22 63.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -54.51 -57.76 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.7 t -51.06 -44.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.64 -39.05 91.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.44 -49.62 76.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -65.11 -57.81 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.585 HG21 ' CD2' ' B' ' 574' ' ' HIS . 91.8 t -51.48 -34.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.71 -34.51 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.27 -23.95 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.537 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.4 tm? -71.87 -52.9 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.438 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.3 mt-30 -55.76 -29.04 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -69.41 -23.84 63.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -109.84 142.56 40.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -146.67 122.54 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -110.47 -30.72 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -161.05 112.74 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.21 155.82 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -108.73 123.38 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER 179.69 -60.84 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 53.4 Cg_endo -69.79 79.05 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -143.73 125.56 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.7 m -110.47 78.52 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.11 102.66 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.043 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -48.47 -30.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -80.2 57.0 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.09 104.5 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.42 165.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' CB ' HG22 ' A' ' 86' ' ' VAL . 31.7 mt-10 -51.64 150.57 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 586' ' ' LEU . 9.9 p90 -70.36 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.492 HG22 ' CB ' ' A' ' 84' ' ' GLU . 8.8 m -50.36 155.1 1.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.46 68.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -153.77 62.28 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.607 ' HE1' HD13 ' A' ' 90' ' ' LEU . 38.9 p90 -70.08 -27.04 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.607 HD13 ' HE1' ' A' ' 89' ' ' PHE . 1.2 tp -109.2 176.94 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 170.5 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.64 -74.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.42 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 63.22 16.78 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -53.96 160.44 2.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -178.55 2.4 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.649 HD11 ' HG3' ' B' ' 565' ' ' ARG . 61.9 mt -112.58 155.2 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.466 HG23 ' O ' ' B' ' 545' ' ' LEU . 0.8 OUTLIER -159.55 148.99 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.97 -24.5 58.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.9 t -86.4 -30.32 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.7 ttt -79.55 -41.14 27.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.504 HD23 ' OE1' ' B' ' 558' ' ' GLN . 2.1 tp -68.25 -25.96 65.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -28.89 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.1 t -52.78 -29.14 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -101.94 160.34 26.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.7 168.32 21.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.38 34.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -90.53 -23.31 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -22.4 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.504 ' OE1' HD23 ' B' ' 550' ' ' LEU . 10.8 mt-30 -48.48 -43.61 34.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -57.26 -43.73 83.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.01 -41.33 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.411 ' HB2' HD11 ' B' ' 550' ' ' LEU . 38.7 mtp -61.34 -60.19 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.47 -53.36 38.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.41 98.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.07 -44.54 79.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.649 ' HG3' HD11 ' B' ' 545' ' ' LEU . 0.7 OUTLIER -75.77 -29.31 58.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' B' ' 569' ' ' LEU . 14.2 mt -75.82 -22.19 56.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.43 -57.97 17.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.4 Cg_endo -69.74 -30.91 21.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 566' ' ' LEU . 51.3 mt -60.66 -56.96 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.559 HG21 HD11 ' B' ' 581' ' ' ILE . 7.6 mt -75.17 -19.19 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.81 -20.96 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -89.19 9.93 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 33.0 mtm -137.64 -58.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -132.37 68.49 79.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.5 Cg_endo -69.8 -24.26 29.7 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.667 2.244 . . . . 0.0 112.363 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.483 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.8 m -51.35 -35.78 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.483 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -142.54 29.26 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -49.67 -55.01 15.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -42.49 69.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.04 -61.45 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.559 HD11 HG21 ' B' ' 570' ' ' ILE . 4.5 pt -60.74 -23.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.418 HG22 HD23 ' B' ' 586' ' ' LEU . 18.8 m -70.46 -48.65 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.82 -42.2 78.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -52.73 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.74 -53.35 40.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.1 pp -64.89 -24.88 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.24 -19.29 58.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.97 -62.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.78 127.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -65.23 -27.84 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.8 t -61.02 -49.6 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -76.44 -45.34 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.488 HD23 ' HE2' ' B' ' 596' ' ' MET . 14.3 mt -51.58 -45.27 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.9 mt -50.13 -32.23 15.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -92.05 -25.91 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.488 ' HE2' HD23 ' B' ' 593' ' ' LEU . 7.1 mtm -70.14 -23.6 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.2 -42.11 29.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.62 21.84 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.28 85.06 15.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.671 0.748 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.27 -24.3 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -102.06 -37.34 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 607' ' ' VAL . 65.0 tp -50.57 -62.15 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -32.2 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -56.18 22.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.21 -44.07 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 603' ' ' LEU . 86.5 t -54.95 -57.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -56.36 -43.98 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.77 -50.63 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.433 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.69 -57.86 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.42 -31.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.7 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.433 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.69 -26.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 1.043 HD23 HG21 ' A' ' 80' ' ' VAL . 2.2 tm? -74.98 -42.36 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -55.41 -29.02 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -70.52 -24.46 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -54.37 -27.49 36.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -65.48 -29.79 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -51.55 166.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -128.33 -175.93 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -137.2 -176.84 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -90.02 87.48 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.344 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -129.28 72.7 81.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.15 27.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.56 144.97 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.46 73.77 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.01 97.12 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.18 -25.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -74.6 -5.07 40.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.8 168.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.75 166.54 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.71 158.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.48 -28.92 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.427 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -80.23 133.31 57.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.6 Cg_endo -69.8 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -91.93 159.77 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 90' ' ' LEU . 1.3 p90 -136.31 25.31 3.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 89' ' ' PHE . 1.7 mt -147.46 131.86 17.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -26.85 34.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.07 70.36 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -89.69 134.94 33.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.3 137.42 42.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.638 0.732 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.16 2.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.4 mt -99.0 154.39 18.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 79.7 p -150.54 171.48 17.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.12 -31.35 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.3 m -62.62 -53.86 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 34.3 ttm -66.26 -48.73 69.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' B' ' 558' ' ' GLN . 4.1 mm? -57.73 -23.19 50.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -87.46 -44.2 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.9 m -52.11 -30.17 25.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -100.02 160.41 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.503 0.668 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.3 Cg_endo -69.68 167.85 23.14 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.395 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -97.06 -36.87 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -75.18 -25.86 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.42 ' HG2' HD13 ' B' ' 550' ' ' LEU . 16.8 mt-30 -51.68 -46.99 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -52.81 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -57.54 -37.06 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 9.4 mtm -62.74 -60.27 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.431 HD22 HD21 ' B' ' 597' ' ' LEU . 78.0 mt -51.56 -50.28 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.54 90.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -46.41 90.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -30.16 59.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -75.85 -24.33 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.54 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.32 -57.88 13.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.73 -33.45 16.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 566' ' ' LEU . 49.7 mt -57.76 -55.7 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.1 mt -75.8 -20.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -57.61 -22.6 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.05 -4.35 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.4 mtm -125.27 -57.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.565 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.0 m-70 -124.57 69.39 53.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.79 32.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.549 ' HB ' HD12 ' B' ' 577' ' ' LEU . 38.0 m -56.58 -37.05 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -142.22 35.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.1 22.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.61 94.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -60.82 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.632 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.38 -31.84 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.441 ' O ' HD23 ' B' ' 586' ' ' LEU . 24.3 m -67.81 -31.73 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.69 39.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 2.8 ptm -68.17 -44.93 74.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -55.25 -47.91 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.456 ' O ' HD12 ' B' ' 586' ' ' LEU . 0.6 OUTLIER -70.49 -20.71 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -20.06 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.583 HD11 HD13 ' B' ' 585' ' ' LEU . 84.1 mt -48.22 -61.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.66 127.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.41 -28.2 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 22.4 t -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -74.91 -46.91 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.8 -44.15 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.53 ' O ' HD23 ' B' ' 594' ' ' LEU . 7.6 tt -49.44 -36.47 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -88.32 -26.29 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 46.1 mtp -69.21 -24.3 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.431 HD21 HD22 ' B' ' 562' ' ' LEU . 16.4 mt -48.8 -54.99 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.17 21.38 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.3 t -113.19 81.83 5.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -92.88 -18.41 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 9.2 t -103.76 -40.16 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 33.2 tp -50.29 -48.99 54.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.86 -46.87 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.7 m -58.59 -44.89 89.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -58.22 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.519 ' O ' HG23 ' B' ' 611' ' ' VAL . 61.7 t -51.37 -49.89 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.01 -43.41 98.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -53.45 -51.17 63.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.7 -55.88 22.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.565 HG21 ' NE2' ' B' ' 574' ' ' HIS . 98.8 t -50.08 -32.84 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.36 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -55.24 -25.2 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.522 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.4 tm? -70.16 -52.85 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.429 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.7 mt-30 -53.5 -28.45 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.72 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -172.82 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -149.88 122.18 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -162.27 172.86 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 147.73 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -120.76 -52.42 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -114.98 -45.17 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.858 0.361 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -166.87 69.54 1.02 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 113.42 3.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.65 145.64 54.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p -112.53 76.55 2.07 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.558 0.694 . . . . 0.0 111.122 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 164.71 33.62 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -102.63 99.42 9.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.777 HG21 HD23 ' B' ' 614' ' ' LEU . 3.5 p -51.44 -28.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.28 66.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.95 -168.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.75 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 121.59 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -60.96 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 86' ' ' VAL . 5.2 p 37.91 67.06 2.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 87.04 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.2 t -81.32 -26.42 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.641 ' CE1' HD12 ' A' ' 90' ' ' LEU . 40.8 p90 -119.8 162.05 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.5 mt 58.73 72.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.39 164.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.47 67.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.36 159.94 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -163.89 137.42 4.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.432 ' O ' HD12 ' B' ' 545' ' ' LEU . 0.3 OUTLIER -99.65 160.84 14.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 72.1 p -150.23 -175.29 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.89 -44.69 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.1 m -53.6 -28.67 33.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.2 ttt -93.07 -37.81 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.9 -20.85 65.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.56 7.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.7 p -120.48 -33.5 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -96.71 160.56 29.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.77 167.82 23.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.608 2.205 . . . . 0.0 112.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -15.07 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -85.54 -25.2 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.98 -46.05 64.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -55.04 -53.36 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -57.6 -37.19 72.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.9 mtm -61.73 -60.07 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.424 HD22 HD21 ' B' ' 597' ' ' LEU . 89.0 mt -51.89 -49.36 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.61 99.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -57.36 -45.93 83.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.5 -28.72 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.3 mt -75.79 -23.77 55.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.53 -57.91 15.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -32.91 17.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 44.8 mt -58.23 -55.99 27.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.427 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.4 mt -75.44 -20.33 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.61 -23.21 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.1 -4.27 43.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.8 mtm -125.49 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.02 69.41 58.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -14.37 36.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.534 ' HB ' HD12 ' B' ' 577' ' ' LEU . 59.5 m -61.08 -41.02 95.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -140.01 36.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.11 -51.36 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.04 96.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -54.43 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.8 pt -60.86 -31.69 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.47 ' O ' HD23 ' B' ' 586' ' ' LEU . 21.1 m -67.12 -32.07 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.43 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.8 ptm -66.91 -41.19 87.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.333 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.3 mm? -58.66 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 582' ' ' THR . 0.8 OUTLIER -61.35 -25.97 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.77 -19.36 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.9 mt -49.66 -62.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.39 126.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.18 -27.7 68.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 42.2 m -60.49 -48.51 81.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -76.45 -45.06 32.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.4 mt -51.67 -43.86 62.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 594' ' ' LEU . 0.4 OUTLIER -49.05 -38.25 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -86.48 -26.65 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 72.9 mtp -63.65 -33.64 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.424 HD21 HD22 ' B' ' 562' ' ' LEU . 18.9 mt -49.93 -49.81 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.17 21.99 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.3 t -122.85 80.29 49.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.65 24.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.65 -22.89 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -100.56 -34.04 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.0 tp -50.19 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -33.27 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -62.06 -54.97 33.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.2 OUTLIER -58.19 -45.76 87.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.39 -55.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -56.99 -41.18 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.41 -48.71 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.72 -59.34 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.13 -34.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.67 59.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.23 -25.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.777 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -73.29 -54.64 7.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.481 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.5 mt-30 -51.66 -36.56 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -171.88 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -150.89 -51.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.05 161.33 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -126.85 141.4 51.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 52.47 31.48 9.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.24 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 70.83 68.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.48 35.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.377 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.5 t80 -125.4 -44.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.9 m 35.1 70.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.733 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -129.14 103.05 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.042 HG21 HD23 ' B' ' 614' ' ' LEU . 4.1 p -49.12 -28.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' HE2' ' CE1' ' B' ' 617' ' ' HIS . 25.3 m80 -76.94 58.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -125.83 100.97 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 175.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -51.35 140.86 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' B' ' 586' ' ' LEU . 7.7 p90 -62.83 134.32 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.1 p -179.08 132.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -75.04 101.53 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 90' ' ' LEU . 31.7 p90 -105.37 -23.38 12.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -120.7 -177.4 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -26.13 57.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.35 -72.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 161.86 44.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -52.57 163.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 160.53 80.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.54 1.91 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' B' ' 565' ' ' ARG . 18.6 mt -112.72 158.28 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 68.3 p -141.71 163.48 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.03 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.7 t -61.2 -33.13 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.0 ttt -90.53 -42.01 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -25.9 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -77.27 -42.3 37.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 m -53.94 -28.05 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -96.52 160.45 29.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.536 0.684 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.7 167.8 23.31 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.2 37.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.47 -25.31 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.51 -29.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -52.14 -42.66 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -58.87 -59.63 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.01 -44.06 63.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 5.0 mmm -56.78 -54.66 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.03 -53.08 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.06 -46.25 94.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -45.63 70.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.68 ' HD2' HD21 ' B' ' 545' ' ' LEU . 1.0 OUTLIER -75.15 -26.63 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.88 -24.2 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.51 -57.99 16.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.02 -58.29 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 581' ' ' ILE . 7.0 mt -75.61 -18.97 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 6.5 tt0 -57.58 -20.75 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.88 7.17 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 18.8 mtm -137.84 -59.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' B' ' 611' ' ' VAL . 49.9 m-70 -123.74 66.94 39.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -18.62 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.572 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.1 m -56.88 -43.54 81.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.572 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.48 35.68 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.27 25.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.77 -43.53 86.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.73 -60.94 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.607 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.9 pt -61.15 -24.73 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.45 HG22 HD23 ' B' ' 586' ' ' LEU . 12.0 m -68.07 -47.1 69.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.74 -45.63 90.7 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -68.3 -49.12 62.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.2 mm? -55.99 -58.37 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.2 pp -58.42 -26.66 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.13 -19.41 58.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' B' ' 585' ' ' LEU . 88.6 mt -49.96 -62.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.63 128.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.99 -30.98 72.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -64.4 -49.26 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.48 -48.1 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.593 HD23 ' SD ' ' B' ' 596' ' ' MET . 10.2 mt -53.1 -49.67 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.11 17.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -87.97 -29.74 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.593 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.4 ptm -71.54 -23.65 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.07 -42.16 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.35 21.82 16.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.4 t -120.47 82.25 32.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.694 0.759 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -86.3 -22.53 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 7.8 t -105.73 -33.34 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 607' ' ' VAL . 43.8 tp -50.55 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -32.43 38.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.9 t -61.07 -58.45 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' B' ' 585' ' ' LEU . 19.8 mmtp -57.62 -45.9 84.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 603' ' ' LEU . 67.2 t -52.84 -54.9 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.41 -41.62 85.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.11 -50.97 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.45 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.03 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.415 HG21 ' CE1' ' B' ' 574' ' ' HIS . 99.5 t -50.68 -30.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.08 -36.74 58.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.45 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.1 -27.3 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 1.042 HD23 HG21 ' A' ' 80' ' ' VAL . 2.5 tm? -75.02 -38.07 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.01 -23.92 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -95.55 21.95 7.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.404 ' CE1' ' HE2' ' A' ' 81' ' ' HIS . 12.9 t-160 -102.89 136.63 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -105.66 116.85 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -171.55 154.11 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -108.01 -24.92 11.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.49 95.66 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.34 49.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -155.95 68.3 4.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.507 0.67 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 131.66 21.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -99.22 145.03 27.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p -112.33 76.62 1.98 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.34 11.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 103.84 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.639 HG21 HD23 ' B' ' 614' ' ' LEU . 2.4 p -51.3 -26.61 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.58 59.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.97 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 156.88 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -51.13 131.97 27.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.26 -29.6 69.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 75.4 t -49.95 108.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 86' ' ' VAL . 53.3 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -57.62 176.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -128.41 9.08 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.04 -178.83 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.64 -177.71 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.93 69.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.26 17.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -109.07 99.11 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -130.28 137.41 30.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.75 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.721 HD13 ' CD ' ' B' ' 565' ' ' ARG . 9.5 mp -121.04 138.61 54.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 25.0 p -133.37 148.86 51.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.546 ' HA ' HD11 ' B' ' 594' ' ' LEU . . . -53.43 -48.36 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.3 m -52.77 -35.9 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.1 ttt -79.15 -52.84 7.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.97 -37.87 54.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.45 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.4 m -55.36 -26.35 40.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -94.3 160.51 31.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.8 167.88 23.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -94.43 -25.77 16.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.04 -40.84 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.1 -27.59 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -64.65 -66.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.73 -35.92 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -60.06 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 566' ' ' LEU . 79.7 mt -51.24 -51.11 57.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 563' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.65 -33.63 87.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.77 -48.27 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.721 ' CD ' HD13 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -75.63 -29.23 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 562' ' ' LEU . 17.7 mt -75.93 -24.44 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.8 t80 -52.62 -57.89 14.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.653 0.739 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -34.09 15.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.9 mt -56.65 -54.89 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.0 mt -75.73 -19.14 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.39 -24.8 47.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.79 -17.35 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.5 mtm -105.1 -58.72 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.497 ' ND1' HG21 ' B' ' 611' ' ' VAL . 37.3 m80 -132.65 76.46 71.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.744 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.04 32.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.565 ' HB ' HD12 ' B' ' 577' ' ' LEU . 11.9 m -51.6 -44.56 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.565 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -137.53 36.51 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.69 -51.66 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.18 92.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -55.05 -61.03 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.623 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.3 pt -60.95 -32.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.488 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.5 m -67.1 -30.69 70.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.48 30.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.2 ptm -67.79 -42.58 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.701 HD13 HD11 ' B' ' 588' ' ' ILE . 3.4 mm? -57.7 -53.41 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.7 OUTLIER -64.7 -23.56 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.49 -19.44 58.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.701 HD11 HD13 ' B' ' 585' ' ' LEU . 92.0 mt -49.01 -61.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.35 121.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -59.25 -34.11 71.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 m -63.99 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -72.19 -50.09 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.645 HD23 ' SD ' ' B' ' 596' ' ' MET . 7.3 mt -51.62 -50.25 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.546 HD11 ' HA ' ' B' ' 547' ' ' ALA . 5.2 tt -51.06 -25.56 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.92 -32.64 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.645 ' SD ' HD23 ' B' ' 593' ' ' LEU . 1.9 ptt? -73.44 -17.98 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.12 -51.7 50.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.42 13.12 18.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.1 t -110.03 83.72 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -90.61 -24.55 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.8 m -101.86 -37.87 8.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.638 HD12 ' CE ' ' B' ' 596' ' ' MET . 3.8 tp -49.69 -62.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -32.95 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 t -62.04 -56.64 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.571 ' HB3' HD11 ' B' ' 585' ' ' LEU . 1.1 mptp? -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.68 -56.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.97 -40.12 75.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -56.79 -48.66 77.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.403 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.48 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.497 HG21 ' ND1' ' B' ' 574' ' ' HIS . 84.7 t -50.61 -35.02 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.04 -36.01 59.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.403 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.92 -26.41 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.639 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -73.34 -46.86 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.56 -25.64 39.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -82.54 -24.27 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -86.68 136.23 33.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -114.01 128.44 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -157.88 137.1 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 103.94 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -91.19 -58.32 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -84.57 102.04 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.832 0.348 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 75' ' ' PRO . 1.6 mptm? -62.36 -60.42 10.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.544 0.688 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 54.1 Cg_endo -69.74 134.47 28.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -69.38 145.3 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.3 p -112.36 76.82 2.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.17 54.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -96.98 98.45 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.68 -26.1 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -76.49 59.45 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.14 -169.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.63 167.67 28.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' HB2' HG22 ' A' ' 86' ' ' VAL . 16.4 pt-20 -51.53 122.68 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.5 p90 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 84' ' ' GLU . 5.3 m -56.56 155.53 13.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -116.67 134.83 54.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.696 ' CE1' HD23 ' A' ' 90' ' ' LEU . 36.3 p90 -106.07 -32.47 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.696 HD23 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -101.11 130.67 47.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 167.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -169.12 173.34 43.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.88 37.62 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.86 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -122.51 128.85 51.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.915 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -73.44 160.55 82.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.45 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.538 HD13 ' HD3' ' B' ' 565' ' ' ARG . 6.3 mp -113.61 152.29 30.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.6 p -150.73 177.71 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.773 ' HB2' HD21 ' B' ' 594' ' ' LEU . . . -74.15 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.4 m -54.05 -29.02 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 11.3 ttt -79.91 -35.58 37.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.651 HD23 ' OE1' ' B' ' 558' ' ' GLN . 0.7 OUTLIER -54.33 -35.27 62.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.66 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 48.4 t -62.44 -25.45 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -107.1 160.35 26.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.72 167.76 23.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.59 -24.27 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -19.17 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.651 ' OE1' HD23 ' B' ' 550' ' ' LEU . 17.1 mt-30 -51.48 -53.13 40.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.4 OUTLIER -51.77 -48.23 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.5 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' B' ' 553' ' ' ALA . 3.1 mtm -61.98 -60.32 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.93 -48.52 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.08 99.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.49 -44.06 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.538 ' HD3' HD13 ' B' ' 545' ' ' LEU . 0.1 OUTLIER -75.33 -29.14 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.3 mt -75.59 -24.41 56.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.531 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.92 -57.87 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.83 -32.23 18.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.3 mt -59.21 -57.94 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 HD11 ' B' ' 581' ' ' ILE . 7.7 mt -75.17 -19.29 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.12 -20.26 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.62 3.61 43.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 16.9 mtm -133.54 -59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -123.96 68.08 44.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.97 31.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.517 ' HB ' HD12 ' B' ' 577' ' ' LEU . 50.1 m -52.25 -42.52 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.517 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.9 34.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.18 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.22 91.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -53.56 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.25 -32.83 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.9 m -65.34 -31.59 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.26 -54.81 21.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.0 ptm -65.79 -40.18 91.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.2 mm? -58.98 -57.43 13.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -60.65 -24.98 65.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -76.32 -19.39 58.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' B' ' 585' ' ' LEU . 96.8 mt -49.63 -62.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.8 126.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.59 -27.37 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 19.4 t -62.55 -49.48 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.55 -47.12 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.565 HD23 ' SD ' ' B' ' 596' ' ' MET . 11.3 mt -51.6 -50.3 60.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' B' ' 547' ' ' ALA . 7.2 tt -51.29 -28.88 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -86.92 -31.72 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.565 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.2 ptm -69.44 -24.85 63.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.45 -50.39 31.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -100.87 26.13 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 83.9 64.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -86.25 -23.17 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.0 t -103.27 -33.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.04 -62.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -32.38 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -54.49 40.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' B' ' 585' ' ' LEU . 26.7 mmtp -59.05 -46.8 87.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 90.2 t -54.24 -55.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.75 -39.86 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.82 -47.64 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.82 -52.03 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.66 -36.91 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.05 68.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -26.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.561 HD13 ' N ' ' B' ' 615' ' ' GLN . 1.2 tm? -76.46 -59.92 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.561 ' N ' HD13 ' B' ' 614' ' ' LEU . 0.6 OUTLIER -64.65 -15.15 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -87.47 -29.13 21.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -154.3 118.46 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -173.66 -177.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 52.21 34.6 14.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.57 112.5 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -60.49 -64.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -155.19 157.5 31.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 109.73 2.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.71 -42.34 82.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 t 68.27 65.39 0.59 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.04 3.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.64 96.63 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HD23 ' B' ' 614' ' ' LEU . 13.3 p -55.32 156.43 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.62 ' ND1' HG13 ' A' ' 80' ' ' VAL . 20.0 m80 67.57 48.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.67 134.55 33.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.06 138.62 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.42 125.08 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.731 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 -53.16 -29.21 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 87' ' ' PRO . 58.3 t -61.07 133.28 92.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 86' ' ' VAL . 54.2 Cg_endo -69.71 149.54 67.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.274 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.2 p -120.05 167.47 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -143.28 30.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mt -144.93 150.34 36.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -26.8 34.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.79 174.94 21.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.57 179.77 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -138.89 155.19 73.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.721 HD11 ' HG3' ' B' ' 565' ' ' ARG . 4.1 mm? -94.06 125.41 38.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 545' ' ' LEU . 1.9 p -155.54 151.66 27.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.95 -18.71 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -19.71 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.536 ' HG3' HD23 ' B' ' 550' ' ' LEU . 0.8 OUTLIER -90.36 -32.02 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' B' ' 558' ' ' GLN . 14.5 mt -92.62 -15.14 27.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . 51.8 41.28 29.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 9.7 m 63.47 31.35 14.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -53.03 160.73 1.43 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.2 Cg_endo -69.71 168.28 21.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -8.54 23.88 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.721 2.28 . . . . 0.0 112.299 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -85.79 -24.37 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.87 -46.81 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.548 ' HG2' HD13 ' B' ' 550' ' ' LEU . 30.2 mt-30 -58.79 -21.03 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' B' ' 586' ' ' LEU . 15.2 tttp -65.25 -59.72 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.43 -39.18 82.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.437 ' CE ' HD22 ' B' ' 550' ' ' LEU . 0.0 OUTLIER -60.94 -60.9 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 39.2 mt -53.34 -53.8 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.77 84.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.92 -41.23 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.721 ' HG3' HD11 ' B' ' 545' ' ' LEU . 4.7 mmp_? -75.84 -30.0 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.73 -23.06 56.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.532 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.98 -58.1 14.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.75 -32.31 18.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.74 -58.9 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 581' ' ' ILE . 7.4 mt -75.39 -18.62 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.42 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.6 OUTLIER -56.52 -23.12 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -83.42 -16.41 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.8 mtm -104.7 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -132.42 76.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -20.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.582 ' HB ' HD12 ' B' ' 577' ' ' LEU . 25.3 m -52.88 -44.34 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.33 36.0 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.95 -51.44 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.74 -45.77 94.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -60.95 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.628 ' O ' HD23 ' B' ' 585' ' ' LEU . 2.9 pt -60.71 -34.38 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.573 ' O ' HD23 ' B' ' 586' ' ' LEU . 23.5 m -65.47 -30.33 71.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.02 -54.39 24.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -39.24 83.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.3 mm? -59.56 -60.21 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.3 pp -60.71 -23.75 65.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -76.09 -19.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.515 HD13 ' NZ ' ' B' ' 606' ' ' LYS . 86.5 mt -49.56 -61.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.14 126.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -66.19 -29.38 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 3.3 t -62.06 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.22 -41.69 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.64 -46.04 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.05 29.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -86.62 -25.17 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 63.5 mtp -66.33 -33.1 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' B' ' 545' ' ' LEU . 16.6 mt -50.45 -46.84 56.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.12 23.17 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.99 81.07 70.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -89.55 -15.37 33.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.3 t -108.83 -39.0 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 607' ' ' VAL . 51.0 tp -51.05 -49.58 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -55.8 -46.22 78.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -57.2 -49.45 75.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 22.1 mmtp -56.2 -59.1 5.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.2 t -51.11 -51.72 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -43.8 87.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.4 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.42 -58.12 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.9 -34.0 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.38 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.4 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.4 -26.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.758 HD23 HG21 ' A' ' 80' ' ' VAL . 2.3 tm? -76.3 -34.85 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -51.63 -28.62 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.48 -36.27 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.618 ' HB3' HD22 ' B' ' 614' ' ' LEU . 8.6 t-80 -64.95 -67.93 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -148.67 117.19 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -156.22 137.84 14.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -80.12 123.9 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.4 143.33 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -70.16 -60.7 2.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 69.1 8.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 77' ' ' VAL . 53.3 Cg_endo -69.75 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' C ' HG23 ' A' ' 77' ' ' VAL . 4.1 t80 -64.96 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 75' ' ' PRO . 2.8 t 67.46 63.91 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.166 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.75 37.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -100.31 100.62 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.02 -28.43 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.62 79.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.89 100.76 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.53 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -156.64 155.76 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.701 ' HB2' HD21 ' B' ' 586' ' ' LEU . 5.3 p90 -80.78 -27.19 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -106.52 133.22 20.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.2 Cg_endo -69.76 162.05 43.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -115.85 173.79 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' A' ' 90' ' ' LEU . 15.4 p90 -132.22 -175.89 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 89' ' ' PHE . 9.0 mt 57.62 58.21 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 171.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.78 39.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 171.57 14.27 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.09 120.17 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -143.72 160.47 50.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' B' ' 565' ' ' ARG . 7.3 mt -117.88 160.05 22.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 36.5 p -145.0 157.39 44.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.71 -36.67 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.5 t -52.38 -29.79 25.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 34.4 ttm -89.32 -46.53 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.33 23.49 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 42.1 t -133.17 -40.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -78.59 160.68 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 111.055 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.74 168.52 21.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -10.09 27.67 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -95.32 -33.85 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -78.63 -37.55 41.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.45 -51.21 48.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -52.17 54.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -60.3 -35.77 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 1.1 mtm -63.61 -60.29 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 51.8 mt -52.69 -48.59 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.73 -34.05 87.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.52 -46.87 86.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.543 ' HD2' HD21 ' B' ' 545' ' ' LEU . 0.1 OUTLIER -75.66 -30.49 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.6 mt -75.81 -24.62 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.68 -58.08 12.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.72 -34.39 14.8 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 50.4 mt -55.78 -56.36 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.64 -21.6 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.82 -23.24 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.04 -6.05 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.6 mtm -122.72 -57.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -126.02 70.49 67.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -9.37 25.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.58 ' HB ' HD12 ' B' ' 577' ' ' LEU . 31.5 m -66.73 -41.74 87.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.89 35.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.02 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.29 -46.38 86.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -60.64 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.631 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.6 pt -62.47 -25.5 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.447 ' O ' HD23 ' B' ' 586' ' ' LEU . 15.5 m -71.5 -33.46 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.92 58.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.06 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.7 mm? -60.92 -57.62 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -63.31 -22.85 67.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -76.15 -19.51 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 87.9 mt -49.85 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.82 128.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.88 -28.79 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.8 t -60.85 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.0 -44.05 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.9 mt -49.34 -35.54 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -89.4 -26.5 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 47.8 mtp -69.27 -24.05 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.91 -54.92 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.65 22.59 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.2 t -113.65 79.05 4.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -91.32 -18.21 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 m -104.52 -43.58 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 607' ' ' VAL . 42.9 tp -50.44 -48.92 56.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -52.11 -57.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.3 -50.13 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.435 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -51.29 -52.97 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 603' ' ' LEU . 28.2 t -54.29 -54.08 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.43 -40.33 78.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.48 -51.23 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.1 -57.55 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.46 -36.14 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.0 60.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -55.81 -24.65 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.548 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.2 tm? -73.22 -55.14 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.506 ' N ' HD13 ' B' ' 614' ' ' LEU . 5.8 mt-30 -56.85 -27.44 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.86 -23.54 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -103.59 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.8 149.02 21.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 619' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' B' ' 622' ' ' ALA . . . -166.18 163.58 17.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -112.93 99.39 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.9 32.52 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 622' ' ' ALA . . . . . 0.53 ' HB3' ' HB1' ' B' ' 619' ' ' ALA . . . -122.71 106.63 11.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.86 160.45 63.63 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.592 0.71 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -146.6 143.54 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.0 m -112.69 75.86 1.97 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.08 20.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -80.97 101.05 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' ND1' ' A' ' 81' ' ' HIS . 7.1 p -60.3 156.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.609 ' ND1' HG13 ' A' ' 80' ' ' VAL . 21.5 m80 68.9 28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.29 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.14 138.35 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.427 ' HB2' HG22 ' A' ' 86' ' ' VAL . 10.9 pt-20 -50.95 137.54 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 -54.78 -27.71 43.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 85' ' ' PHE . 15.5 m -75.4 154.33 85.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.38 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.384 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 p -51.84 120.46 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -116.29 -24.38 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.24 52.13 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -157.37 172.53 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.44 1.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.63 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -88.79 99.59 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.4 160.73 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -176.92 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.659 2.24 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.589 HD13 ' HD3' ' B' ' 565' ' ' ARG . 7.6 mp -106.39 138.85 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.456 ' O ' HD23 ' B' ' 550' ' ' LEU . 40.8 p -151.63 -179.75 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.465 ' HB2' HD21 ' B' ' 594' ' ' LEU . . . -55.33 -37.51 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.6 t -52.53 -48.78 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.2 ttt -79.83 -36.74 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.456 HD23 ' O ' ' B' ' 546' ' ' THR . 3.7 mm? -62.28 -23.86 66.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -93.61 19.12 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 28.9 t -117.08 -27.21 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -103.54 160.49 25.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.72 167.76 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.29 37.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.65 -25.88 38.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.94 -23.41 13.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.45 ' OE1' HD12 ' B' ' 550' ' ' LEU . 2.6 mt-30 -51.77 -50.62 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -51.81 -47.7 64.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.59 -38.17 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 6.2 mtm -63.35 -59.97 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.429 ' O ' HD12 ' B' ' 566' ' ' LEU . 90.2 mt -51.64 -50.23 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.52 -32.76 84.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.17 -48.32 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.589 ' HD3' HD13 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.87 -29.71 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.687 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.4 mt -75.66 -24.57 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.37 -58.06 13.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.81 -32.9 17.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.1 mt -57.32 -56.57 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.433 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.8 mt -75.25 -20.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -58.07 -23.41 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.58 -2.95 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.07 -56.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.47 ' NE2' HG21 ' B' ' 611' ' ' VAL . 90.2 m-70 -126.98 69.11 72.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -13.02 34.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.573 ' HB ' HD12 ' B' ' 577' ' ' LEU . 26.1 m -61.96 -42.5 99.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.89 36.53 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.94 -53.26 20.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.44 87.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -61.04 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.59 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.27 -24.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.61 HG22 HD23 ' B' ' 586' ' ' LEU . 13.1 m -68.72 -43.87 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -59.74 -43.91 97.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -47.2 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.59 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.6 mm? -55.59 -57.46 11.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.794 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.1 pp -62.9 -23.3 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.76 -19.4 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.528 HD11 HD13 ' B' ' 585' ' ' LEU . 96.9 mt -50.34 -62.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.26 127.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -64.84 -30.33 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 26.0 t -61.03 -49.41 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.34 -45.02 57.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.2 mt -52.62 -44.67 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' B' ' 547' ' ' ALA . 0.3 OUTLIER -49.36 -35.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.43 -27.05 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 48.2 mtp -68.2 -24.81 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.76 -51.09 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.34 23.18 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.7 t -117.29 80.81 12.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.699 0.761 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.24 -24.51 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -101.09 -36.56 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 607' ' ' VAL . 63.8 tp -50.43 -61.7 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -33.81 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -61.88 -60.32 3.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 37.6 mmtm -53.58 -45.73 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 603' ' ' LEU . 92.4 t -54.56 -53.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.02 -40.88 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.76 -51.89 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.19 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.47 HG21 ' NE2' ' B' ' 574' ' ' HIS . 97.1 t -56.42 -47.42 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.37 73.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -68.95 -26.1 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.529 HD13 ' C ' ' B' ' 614' ' ' LEU . 2.0 tm? -75.42 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.528 ' N ' HD13 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -55.83 -25.39 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.03 -15.01 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -85.62 -45.32 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -150.66 127.74 11.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -105.78 51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.98 144.14 49.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 35.52 4.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -133.98 49.81 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.368 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -74.92 159.91 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.53 68.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -80.33 -49.05 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t 67.35 64.44 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.463 ' O ' HG11 ' B' ' 613' ' ' VAL . 54.3 Cg_endo -69.71 118.13 5.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.635 2.224 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -67.94 104.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.764 HG21 HD23 ' B' ' 614' ' ' LEU . 5.3 p -57.18 -20.97 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -83.1 4.19 27.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 100.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.32 163.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.87 143.53 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -61.77 -25.37 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 86' ' ' VAL . 4.0 p -113.83 77.98 3.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.59 51.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.389 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 t -140.21 162.82 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.499 ' CD1' HD12 ' A' ' 90' ' ' LEU . 1.5 p90 -126.2 14.17 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -105.3 98.71 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -29.08 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.37 174.67 27.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.86 36.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -158.13 119.52 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -85.87 160.59 52.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 1.061 HD22 HD11 ' B' ' 550' ' ' LEU . 0.3 OUTLIER -103.65 158.16 16.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 20.4 p -139.32 169.73 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.877 ' HB2' HD22 ' B' ' 594' ' ' LEU . . . -53.18 -43.88 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -21.24 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.3 ttt -94.24 -52.85 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 1.061 HD11 HD22 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -61.53 -26.2 67.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.33 -16.83 56.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 14.7 m -88.86 -25.51 22.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -90.06 159.44 42.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.551 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.73 168.19 22.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -10.85 29.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -93.08 -34.09 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.91 -41.69 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.602 ' HB3' HD23 ' B' ' 550' ' ' LEU . 37.9 mt-30 -54.11 -33.12 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.99 -64.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -56.75 -36.08 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -60.28 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.417 ' HG ' HD21 ' B' ' 550' ' ' LEU . 30.2 mt -52.58 -50.5 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 563' ' ' GLY . . . . . 0.465 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -60.95 -45.17 97.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.1 -41.23 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.354 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.601 ' HG3' HD21 ' B' ' 545' ' ' LEU . 3.5 mmp_? -75.58 -30.02 59.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.71 -23.64 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.32 -57.94 14.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.683 0.754 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.82 -32.0 19.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 569' ' ' LEU . 23.2 mt -59.99 -58.31 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.593 HG21 HD11 ' B' ' 581' ' ' ILE . 5.5 mt -75.01 -18.72 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 11.9 tt0 -57.8 -21.92 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.36 4.42 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 36.6 mtm -131.15 -59.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.472 ' ND1' HG21 ' B' ' 611' ' ' VAL . 40.7 m170 -132.19 70.02 80.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.515 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 54.3 Cg_endo -69.74 -27.26 26.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.489 ' HB ' HD12 ' B' ' 577' ' ' LEU . 8.8 m -50.8 -32.66 20.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.6 OUTLIER -142.75 27.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.12 -56.34 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.95 68.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.66 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.661 HD12 HG13 ' B' ' 607' ' ' VAL . 5.2 pt -62.67 -23.78 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.3 m -69.3 -45.97 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.6 -41.91 95.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 1.3 mtm -70.03 -55.06 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mp -52.31 -56.88 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.465 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -59.28 -27.46 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.37 -19.49 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 74.1 mt -50.35 -62.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 589' ' ' ASP . . . . . 0.415 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.03 127.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -60.76 -31.71 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 58.0 m -63.52 -50.86 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.63 -46.67 62.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.726 HD23 ' HE2' ' B' ' 596' ' ' MET . 10.2 mt -53.51 -45.5 69.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.877 HD22 ' HB2' ' B' ' 547' ' ' ALA . 11.8 mt -50.11 -31.93 14.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -92.65 -25.58 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.726 ' HE2' HD23 ' B' ' 593' ' ' LEU . 16.5 mtm -70.07 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.42 -42.01 30.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.71 24.38 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.3 t -116.03 82.65 11.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.91 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -93.58 -2.23 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -47.59 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.717 ' O ' HG23 ' B' ' 607' ' ' VAL . 39.4 tp -50.28 -45.82 54.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.59 -55.18 38.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.8 t -49.35 -45.35 45.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 12.9 mmtp -60.52 -54.01 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 603' ' ' LEU . 36.7 t -51.46 -48.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.03 -41.09 99.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.79 -45.27 78.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.659 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -68.23 -57.79 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.472 HG21 ' ND1' ' B' ' 574' ' ' HIS . 67.8 t -51.07 -36.51 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.98 -32.45 59.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -57.57 -25.41 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.764 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -75.01 -53.43 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.475 ' N ' HD13 ' B' ' 614' ' ' LEU . 13.4 mt-30 -51.32 -30.79 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.54 87.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -72.15 -65.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -165.81 163.1 18.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -157.2 141.36 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -134.13 158.22 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -96.16 94.56 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -106.77 74.57 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' VAL . 2.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' B' ' 610' ' ' ALA . 54.0 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -102.77 99.46 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -57.23 -25.49 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -74.69 -4.62 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.45 168.16 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.49 154.12 30.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -51.89 167.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.71 -25.92 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -51.96 -49.22 63.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -51.68 -48.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.4 -39.67 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 7.3 mtm -60.75 -59.99 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 54.0 mt -51.78 -49.12 63.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.15 -39.72 98.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -29.62 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' B' ' 569' ' ' LEU . 12.6 mt -75.59 -24.6 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.5 -57.86 14.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -32.49 18.28 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.8 mt -58.8 -58.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.456 HG21 HD11 ' B' ' 581' ' ' ILE . 8.3 mt -75.29 -18.79 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.36 -21.11 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -84.34 -7.5 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.8 mtm -118.84 -60.1 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.424 ' CE1' HG21 ' B' ' 611' ' ' VAL . 63.0 m80 -126.55 72.11 73.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -22.34 32.01 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.577 ' HB ' HD12 ' B' ' 577' ' ' LEU . 30.3 m -52.19 -43.78 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -138.89 36.28 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.54 -49.71 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.29 91.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -52.35 -60.5 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.4 pt -60.48 -34.01 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.59 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.8 m -66.34 -28.74 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -67.19 -54.02 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -40.87 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -59.45 -59.13 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -62.23 -23.01 66.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.01 -19.38 58.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.85 -62.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.81 130.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.79 -27.4 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -62.17 -51.27 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.8 mt -53.75 -44.39 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.96 -39.36 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.6 -27.38 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.4 mtp -64.3 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.78 -49.78 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.69 19.88 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -121.3 79.11 35.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.22 -23.74 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 -35.56 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 607' ' ' VAL . 58.8 tp -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.11 35.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.3 t -61.08 -57.01 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -58.05 -46.19 85.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 603' ' ' LEU . 96.0 t -52.6 -57.19 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.56 -43.25 79.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -52.89 -49.18 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.2 t -50.39 -35.92 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.28 -34.61 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.91 -22.72 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.52 ' C ' HD13 ' B' ' 614' ' ' LEU . 2.4 tm? -72.35 -57.09 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.407 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.7 mt-30 -53.71 -33.94 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.651 0.739 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' O ' HG11 ' B' ' 613' ' ' VAL . 53.3 Cg_endo -69.8 123.89 10.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -72.35 101.56 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.818 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -49.47 -29.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -77.34 58.79 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.54 103.56 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 173.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.64 145.8 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' B' ' 586' ' ' LEU . 4.6 p90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -116.01 -21.34 9.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.49 ' NE2' HD22 ' B' ' 590' ' ' ASN . 19.6 mt-30 -48.44 -45.44 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -56.17 -43.31 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -62.93 -42.31 99.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.4 mtp -60.53 -60.24 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.66 -49.07 63.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.25 99.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.86 -44.43 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.88 -29.15 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.0 mt -75.74 -22.3 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.5 -57.98 17.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.79 -30.98 21.28 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.5 mt -60.52 -55.99 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.598 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.45 -19.51 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -57.9 -20.79 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -88.45 9.79 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.6 mtm -139.2 -59.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -130.28 67.53 80.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.573 0.702 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.1 Cg_endo -69.75 -24.39 29.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.527 ' HB ' HD12 ' B' ' 577' ' ' LEU . 18.2 m -51.11 -37.66 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.26 30.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.11 -55.83 13.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.65 -41.31 65.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.24 -62.35 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.663 HD12 HG13 ' B' ' 607' ' ' VAL . 4.6 pt -60.19 -24.88 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.469 HG22 HD23 ' B' ' 586' ' ' LEU . 21.7 m -69.43 -46.4 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.57 -43.21 85.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -52.23 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 606' ' ' LYS . 4.0 mp -54.39 -53.56 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.469 HD23 HG22 ' B' ' 582' ' ' THR . 0.7 OUTLIER -63.44 -25.35 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.07 -19.22 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 98.1 mt -50.35 -62.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . 0.441 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.65 126.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.49 HD22 ' NE2' ' B' ' 558' ' ' GLN . 17.1 m-20 -63.85 -29.19 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -60.92 -49.91 75.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.44 -44.67 34.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.441 HD12 ' C ' ' B' ' 589' ' ' ASP . 14.3 mt -51.68 -45.24 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.5 mt -49.93 -31.75 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 45.3 mtp -69.25 -24.98 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.22 -46.67 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -103.06 23.7 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 3.5 t -115.63 82.15 9.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.17 22.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -92.48 -1.14 57.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.2 t -125.31 -47.4 1.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.0 tp -50.24 -47.02 55.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -54.87 -57.65 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -45.43 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.455 ' HB3' HD21 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -56.57 -55.48 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.663 HG13 HD12 ' B' ' 581' ' ' ILE . 62.2 t -52.89 -55.9 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -55.97 -42.55 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -47.02 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.547 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -63.91 -59.39 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.99 -37.45 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.5 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.62 -26.11 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -74.76 -54.51 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.453 ' N ' HD13 ' B' ' 614' ' ' LEU . 11.0 mt-30 -55.41 -26.11 39.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.6 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.667 0.746 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.72 160.43 49.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.36 99.35 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -50.49 -28.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -77.06 58.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.0 -168.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.2 169.36 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.62 121.84 7.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD21 ' B' ' 586' ' ' LEU . 12.8 p90 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -105.6 -49.25 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -51.87 -30.73 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.7 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -54.08 -35.2 61.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -60.22 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 85.5 mt -51.4 -50.83 58.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.02 -37.07 94.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.07 -47.28 85.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -75.82 -28.49 58.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.7 mt -75.59 -24.46 56.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -53.62 -57.95 15.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.79 -31.54 20.2 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' B' ' 566' ' ' LEU . 41.8 mt -58.94 -58.72 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.577 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.35 -18.81 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.411 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.21 -20.66 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.45 -9.54 54.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.9 mtm -113.9 -60.61 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -130.26 72.75 81.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.87 37.27 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.583 ' HB ' HD12 ' B' ' 577' ' ' LEU . 32.4 m -55.32 -40.73 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.89 34.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.11 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.01 -41.52 68.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -58.54 -61.18 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.587 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.8 pt -63.29 -22.57 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.62 HG22 HD23 ' B' ' 586' ' ' LEU . 17.6 m -68.74 -49.06 61.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -57.98 -41.15 94.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.44 -49.26 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.587 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.8 mm? -55.82 -55.48 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.626 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.2 pp -62.75 -24.98 67.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.74 -19.45 59.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.577 HD11 HD13 ' B' ' 585' ' ' LEU . 96.6 mt -50.45 -62.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.86 128.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.76 -49.13 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -74.05 -45.11 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.03 -44.83 64.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.95 -36.91 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -87.44 -25.32 23.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 84.6 mtp -70.94 -24.16 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -49.1 -51.38 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.2 22.81 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -114.8 78.41 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.697 0.76 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -91.67 -14.14 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 38.1 t -111.69 -40.3 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.639 ' O ' HG23 ' B' ' 607' ' ' VAL . 62.0 tp -50.51 -54.74 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -53.61 -47.86 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.9 t -52.38 -53.71 41.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -55.66 -49.23 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 603' ' ' LEU . 48.5 t -50.76 -52.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.76 -41.51 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -54.48 -50.2 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.409 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.38 -52.69 60.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 607' ' ' VAL . 90.7 t -50.72 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.78 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -59.06 -23.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -73.87 -41.96 61.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -22.24 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.8 58.36 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -88.06 100.02 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.1 p -57.13 -26.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -73.35 -5.8 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.35 167.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.93 162.6 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.67 147.38 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.17 -27.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -52.02 -51.28 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -52.04 -47.31 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.21 -38.72 84.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.02 -60.23 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.403 ' O ' HD12 ' B' ' 566' ' ' LEU . 77.9 mt -51.42 -49.44 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.69 -37.1 93.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.96 -30.7 58.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.403 HD12 ' O ' ' B' ' 562' ' ' LEU . 15.3 mt -75.69 -22.61 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.12 -58.16 14.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -32.21 18.94 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.52 -55.65 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' B' ' 581' ' ' ILE . 6.5 mt -75.51 -19.74 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.25 -23.68 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.38 -14.7 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.7 mtm -108.48 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' B' ' 611' ' ' VAL . 33.9 m80 -132.19 75.18 75.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.96 34.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.472 ' HB ' HD12 ' B' ' 577' ' ' LEU . 2.8 m -62.11 -42.69 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -136.27 35.22 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.86 -56.35 10.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.11 74.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.41 -61.35 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.581 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -62.65 -23.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.406 HG22 HD23 ' B' ' 586' ' ' LEU . 17.0 m -68.28 -47.96 66.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.63 -42.05 95.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.02 -48.5 57.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 588' ' ' ILE . 2.8 mm? -56.28 -57.06 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.406 HD23 HG22 ' B' ' 582' ' ' THR . 1.3 pp -61.13 -24.98 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -76.12 -19.45 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.64 HD11 HD13 ' B' ' 585' ' ' LEU . 97.0 mt -49.77 -62.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.81 126.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.96 -29.72 70.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -46.65 88.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.41 -41.93 38.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.14 -45.61 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.8 mt -50.0 -32.78 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -91.87 -25.35 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 62.1 mtp -65.28 -33.53 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.64 -41.66 43.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.97 29.0 7.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.24 80.11 64.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.691 0.758 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -8.15 22.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -87.06 -15.2 39.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.9 t -112.19 -38.21 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 607' ' ' VAL . 55.6 tp -50.79 -50.25 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.8 m -58.69 -56.13 26.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 69.9 mmtt -51.52 -56.11 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 603' ' ' LEU . 39.0 t -50.71 -48.9 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -61.54 -41.11 96.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.06 -48.89 75.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.26 54.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.6 t -51.6 -36.5 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.43 61.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.438 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -64.4 -23.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.57 HD13 ' C ' ' B' ' 614' ' ' LEU . 2.2 tm? -70.72 -56.27 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.439 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -53.86 -40.97 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.6 Cg_endo -69.73 130.38 19.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.282 . . . . 0.0 112.375 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.35 104.2 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.92 HG21 HD23 ' B' ' 614' ' ' LEU . 2.9 p -52.43 -24.32 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.653 ' CD2' HG13 ' A' ' 80' ' ' VAL . 27.9 m-70 -84.83 52.55 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.54 102.74 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 163.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -51.86 136.8 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.71 -39.47 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.74 -30.98 35.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.64 -71.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -33.57 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -60.45 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 31.0 mt -52.21 -48.43 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.25 90.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -45.78 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -75.76 -30.93 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.5 mt -75.67 -24.59 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.83 -58.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -34.35 14.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.5 mt -54.93 -57.19 12.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.457 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.64 -21.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.11 -22.92 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.14 -4.9 49.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 28.6 mtm -124.26 -57.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -125.77 70.27 65.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.57 ' HB ' HD12 ' B' ' 577' ' ' LEU . 23.0 m -67.22 -42.86 83.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.57 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.06 32.68 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.69 -54.76 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.78 -41.59 75.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -61.79 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.634 HD12 HG13 ' B' ' 607' ' ' VAL . 4.2 pt -59.97 -26.15 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.595 HG22 HD23 ' B' ' 586' ' ' LEU . 22.2 m -68.78 -45.13 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.14 -45.83 86.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -49.12 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.22 -57.77 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.595 HD23 HG22 ' B' ' 582' ' ' THR . 1.0 OUTLIER -58.76 -26.37 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.23 -19.5 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.4 mt -50.62 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.51 130.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.04 -29.71 70.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 15.3 t -59.74 -49.55 77.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.31 -44.47 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.45 -43.81 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.21 -33.11 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.0 -26.23 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 79.0 mtp -62.92 -33.82 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.65 -43.29 46.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.68 27.51 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.3 82.16 69.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.22 -12.03 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 37.9 m -114.12 -40.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.67 -55.3 17.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -53.87 -37.76 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -48.76 78.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -59.1 -54.02 51.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.634 HG13 HD12 ' B' ' 581' ' ' ILE . 58.0 t -52.92 -55.5 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.22 -41.77 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.79 -47.4 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -59.23 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.52 -37.32 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.69 -34.97 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.56 -26.34 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.92 HD23 HG21 ' A' ' 80' ' ' VAL . 1.8 tm? -74.4 -51.3 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.33 -30.19 27.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 77' ' ' VAL . 4.4 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.638 0.733 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.464 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.67 129.25 17.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -76.55 103.78 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' B' ' 614' ' ' LEU . 2.1 p -50.3 -28.06 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -77.02 59.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.77 101.57 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 176.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.47 154.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.761 0.315 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -93.97 -29.01 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -52.1 -47.63 65.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.517 ' O ' HD13 ' B' ' 586' ' ' LEU . 38.3 mtmt -53.4 -54.34 38.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -55.99 -39.47 71.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 2.1 mtm -59.63 -60.09 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 593' ' ' LEU . 53.0 mt -51.36 -48.01 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . 0.536 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -63.14 -42.51 99.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -75.53 -28.9 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.84 -22.98 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.6 -57.89 16.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.75 -32.5 18.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.2 mt -59.44 -57.04 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.595 HG21 HD11 ' B' ' 581' ' ' ILE . 8.2 mt -75.21 -19.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.74 -19.96 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.57 -9.48 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.1 mtm -114.84 -60.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -128.81 72.64 81.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.43 37.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.594 ' HB ' HD12 ' B' ' 577' ' ' LEU . 27.3 m -55.85 -41.58 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.08 34.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.16 -57.55 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.84 -41.46 75.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.31 -61.67 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.815 HD12 HG13 ' B' ' 607' ' ' VAL . 4.5 pt -63.28 -24.32 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.9 m -68.4 -41.91 79.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.67 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -48.74 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.78 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.536 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -58.89 -26.67 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.32 -19.51 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.4 mt -50.32 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.33 131.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.38 -27.93 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 13.8 t -60.85 -52.71 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.23 -45.67 59.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 562' ' ' LEU . 17.0 mt -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 594' ' ' LEU . 12.8 mt -49.09 -33.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -92.15 -27.54 17.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.6 mtp -67.59 -23.51 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.69 -53.8 17.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.9 22.05 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -114.38 81.57 6.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -87.19 -23.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 30.9 t -101.48 -39.55 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.9 tp -50.3 -62.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -33.12 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -53.77 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.44 92.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.815 HG13 HD12 ' B' ' 581' ' ' ILE . 94.9 t -55.92 -60.02 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.44 -38.66 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -58.42 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.533 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.15 -43.64 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.5 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -60.14 -22.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -71.65 -44.46 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -71.68 -33.03 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.653 0.74 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.1 9.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -114.53 103.53 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.889 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -50.59 -27.66 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -76.72 59.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -130.18 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 173.99 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -51.77 158.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.745 0.307 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -96.4 -24.91 15.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -52.03 -50.33 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -52.12 -47.64 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.25 -37.1 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.3 mtm -62.93 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 44.4 mt -52.9 -48.64 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.8 -38.19 95.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.48 -45.79 90.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -30.0 59.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.6 mt -75.89 -22.88 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.96 -58.03 15.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.77 -33.24 16.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 46.6 mt -57.89 -55.85 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.7 mt -75.55 -20.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.94 -23.15 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.87 -4.42 43.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 14.6 mtm -125.55 -57.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -124.85 69.33 56.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.76 31.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.553 ' HB ' HD12 ' B' ' 577' ' ' LEU . 36.0 m -53.96 -39.24 65.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.553 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -141.16 36.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.21 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.53 94.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.411 ' HD3' HD23 ' B' ' 577' ' ' LEU . 43.1 mtpt -54.52 -60.78 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.32 -33.18 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.473 ' O ' HD23 ' B' ' 586' ' ' LEU . 22.0 m -65.93 -30.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.47 -54.57 22.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.488 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 4.3 ptm -65.86 -41.34 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -59.47 -56.56 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.473 HD23 ' O ' ' B' ' 582' ' ' THR . 0.7 OUTLIER -60.1 -26.59 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -75.95 -19.33 58.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.6 HD11 HD13 ' B' ' 585' ' ' LEU . 86.3 mt -48.82 -61.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.34 124.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.69 -29.2 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -44.69 96.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.2 -44.75 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.29 -44.57 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.59 ' O ' HD13 ' B' ' 594' ' ' LEU . 0.6 OUTLIER -49.47 -37.72 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.71 -26.01 24.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 54.2 mtp -69.81 -24.65 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 17.0 mt -48.84 -54.64 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -95.03 21.93 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.0 t -117.67 81.47 14.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.77 -24.05 22.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.6 m -100.84 -36.39 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.4 tp -50.5 -62.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -33.17 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -61.45 -57.3 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.6 OUTLIER -57.28 -45.19 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 603' ' ' LEU . 97.9 t -53.84 -56.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -56.53 -41.63 77.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -55.3 -48.89 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.435 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.15 -58.88 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 92.3 t -50.44 -32.4 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.59 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.53 -25.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -70.71 -51.32 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.432 ' N ' HD13 ' B' ' 614' ' ' LEU . 7.2 mt-30 -58.61 -22.55 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.479 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.7 Cg_endo -69.74 152.35 69.37 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.51 101.14 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.878 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -52.73 -27.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -76.99 60.38 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.69 -169.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.63 166.25 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -51.69 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' B' ' 586' ' ' LEU . 6.5 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -25.6 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' B' ' 586' ' ' LEU . 6.3 ttpp -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -64.1 -36.78 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.7 mtp -63.73 -60.75 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.412 ' O ' HD12 ' B' ' 566' ' ' LEU . 72.6 mt -52.82 -47.5 67.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.2 93.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -44.98 96.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -31.3 58.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.721 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -76.14 -21.54 56.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -54.83 -58.16 15.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.73 -33.32 16.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.4 mt -58.26 -55.52 33.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.9 -19.94 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -57.64 -23.28 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.68 -11.75 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.3 mtm -114.18 -58.1 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.499 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.8 m-70 -128.86 73.54 81.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.64 37.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.557 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.8 m -58.4 -43.79 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -137.73 38.54 2.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.82 -50.76 32.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.49 93.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -54.97 -60.62 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.5 pt -60.88 -32.56 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.587 ' O ' HD23 ' B' ' 586' ' ' LEU . 16.7 m -66.43 -32.2 73.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.29 -53.19 34.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 5.0 ptm -67.45 -42.48 83.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -57.35 -60.0 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -62.98 -21.97 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.89 -19.31 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.61 -61.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.67 127.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.73 -27.29 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.1 t -62.61 -48.76 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.49 -43.93 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.744 HD23 ' HE2' ' B' ' 596' ' ' MET . 17.5 mt -54.02 -45.75 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.25 -32.76 17.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.95 -27.29 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.744 ' HE2' HD23 ' B' ' 593' ' ' LEU . 18.7 mtp -71.47 -21.93 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.65 -50.75 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -97.5 20.35 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.8 t -114.0 79.64 4.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.92 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.51 -16.48 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.1 m -105.78 -44.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 26.8 tp -50.24 -52.28 37.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.91 -54.54 28.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.89 -45.12 64.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -55.47 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.47 -54.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.67 -43.56 89.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.85 -46.39 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.453 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.23 -57.94 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.499 HG21 ' NE2' ' B' ' 574' ' ' HIS . 86.7 t -49.8 -34.91 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.84 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -55.07 -25.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.878 HD23 HG21 ' A' ' 80' ' ' VAL . 1.4 tm? -72.61 -55.11 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.459 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -51.95 -30.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.99 13.48 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.744 2.296 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -105.45 100.21 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.66 -25.33 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -76.17 60.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.74 -169.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.38 111.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.753 0.311 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -91.55 -24.01 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.87 -49.42 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.3 OUTLIER -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.57 -39.0 86.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.9 mmm -61.87 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.35 -51.52 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . 0.428 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -62.79 -34.5 89.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.53 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.54 -34.14 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.73 -19.9 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -55.82 -58.69 14.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.74 -32.6 18.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' LEU . 57.2 mt -58.72 -55.84 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.442 HG21 ' CD1' ' B' ' 581' ' ' ILE . 8.4 mt -75.36 -19.83 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.76 -24.25 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.32 -12.1 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.3 mtm -111.0 -58.47 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -133.18 73.89 73.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.03 37.49 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.554 ' HB ' HD12 ' B' ' 577' ' ' LEU . 37.0 m -56.74 -40.03 75.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.98 33.35 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.64 -51.56 27.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.19 92.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -54.86 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.625 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.2 pt -61.08 -32.52 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.442 ' O ' HD23 ' B' ' 586' ' ' LEU . 20.0 m -66.39 -31.51 72.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.46 -54.36 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.5 ptm -66.32 -40.97 90.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.5 mm? -60.23 -56.47 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 559' ' ' LYS . 0.7 OUTLIER -58.87 -27.68 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -75.79 -19.39 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.0 mt -49.22 -61.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.14 123.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -67.93 -28.58 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.9 t -61.42 -41.18 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -84.14 -42.06 16.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.51 -46.9 70.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -36.2 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -86.71 -24.36 25.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.6 mtm -70.46 -28.31 64.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.18 -42.06 38.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -107.24 29.68 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.7 81.81 52.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.61 26.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.67 -23.95 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.9 t -106.39 -36.05 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 607' ' ' VAL . 50.8 tp -50.89 -63.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -32.72 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.8 t -61.59 -57.61 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.584 ' HB3' HD11 ' B' ' 585' ' ' LEU . 35.0 mttp -57.12 -45.85 83.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 603' ' ' LEU . 84.9 t -53.73 -54.77 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.16 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.99 -47.38 80.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.418 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.18 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.56 -36.64 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.99 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -54.35 -25.58 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.2 tm? -73.4 -54.5 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.511 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.2 mt-30 -51.89 -31.22 27.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.591 0.71 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.88 40.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -101.15 97.68 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.11 -28.02 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -76.4 59.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.93 -169.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.7 165.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.08 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' HB2' HD21 ' B' ' 586' ' ' LEU . 16.0 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.757 0.313 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -79.99 -25.01 40.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -57.86 -37.9 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -64.69 -62.56 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.97 -40.55 61.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.4 mmm -61.24 -54.19 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 593' ' ' LEU . 28.8 mt -54.31 -54.14 44.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.43 -46.03 95.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.56 -45.43 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -28.3 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.6 mt -75.53 -21.49 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -57.09 -58.13 19.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.73 -30.53 22.27 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.3 mt -61.06 -58.59 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.489 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.22 -19.08 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.78 -20.85 38.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.89 8.01 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.8 mtm -137.07 -59.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.634 ' CE1' HG21 ' B' ' 611' ' ' VAL . 43.1 m-70 -127.26 67.91 71.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.48 30.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.562 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.1 m -51.84 -41.36 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.562 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.1 34.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -49.27 -52.92 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.25 88.18 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.98 -61.14 2.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.296 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.609 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.6 pt -59.7 -28.45 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.869 HG22 HD23 ' B' ' 586' ' ' LEU . 21.9 m -67.95 -44.71 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.49 87.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -46.86 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -57.06 -55.39 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.869 HD23 HG22 ' B' ' 582' ' ' THR . 4.0 pp -63.52 -24.47 67.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.12 -19.4 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.417 ' CD1' HD13 ' B' ' 585' ' ' LEU . 78.8 mt -50.47 -62.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.83 129.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.24 -28.43 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.2 t -62.29 -52.82 62.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.5 -46.07 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 562' ' ' LEU . 14.8 mt -52.59 -45.77 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.79 -35.01 21.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.55 -28.05 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.2 mtm -68.3 -25.0 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.15 -45.35 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -107.14 23.47 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.9 t -115.99 80.54 9.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -89.79 -18.11 26.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.5 m -106.8 -39.85 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.538 ' O ' HG23 ' B' ' 607' ' ' VAL . 59.3 tp -50.15 -48.35 53.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -53.89 -55.16 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.9 m -51.73 -48.22 63.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -54.51 -57.76 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.7 t -51.06 -44.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.64 -39.05 91.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.44 -49.62 76.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -65.11 -57.81 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.634 HG21 ' CE1' ' B' ' 574' ' ' HIS . 91.8 t -51.48 -34.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.71 -34.51 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.27 -23.95 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.537 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.4 tm? -71.87 -52.9 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.438 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.3 mt-30 -55.76 -29.04 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.732 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.11 102.66 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.043 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -48.47 -30.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -80.2 57.0 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.09 104.5 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.42 165.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.64 150.57 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 586' ' ' LEU . 9.9 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -22.4 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -48.48 -43.61 34.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -57.26 -43.73 83.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.01 -41.33 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.7 mtp -61.34 -60.19 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.47 -53.36 38.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.41 98.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.07 -44.54 79.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -29.31 58.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' B' ' 569' ' ' LEU . 14.2 mt -75.82 -22.19 56.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.43 -57.97 17.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.4 Cg_endo -69.74 -30.91 21.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 566' ' ' LEU . 51.3 mt -60.66 -56.96 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.559 HG21 HD11 ' B' ' 581' ' ' ILE . 7.6 mt -75.17 -19.19 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.81 -20.96 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -89.19 9.93 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 33.0 mtm -137.64 -58.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -132.37 68.49 79.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.5 Cg_endo -69.8 -24.26 29.7 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.667 2.244 . . . . 0.0 112.363 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.483 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.8 m -51.35 -35.78 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.483 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -142.54 29.26 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -49.67 -55.01 15.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -42.49 69.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.04 -61.45 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.559 HD11 HG21 ' B' ' 570' ' ' ILE . 4.5 pt -60.74 -23.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.418 HG22 HD23 ' B' ' 586' ' ' LEU . 18.8 m -70.46 -48.65 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.82 -42.2 78.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -52.73 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.74 -53.35 40.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.1 pp -64.89 -24.88 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.24 -19.29 58.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.97 -62.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.78 127.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -65.23 -27.84 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.8 t -61.02 -49.6 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -76.44 -45.34 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.488 HD23 ' HE2' ' B' ' 596' ' ' MET . 14.3 mt -51.58 -45.27 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.9 mt -50.13 -32.23 15.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -92.05 -25.91 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.488 ' HE2' HD23 ' B' ' 593' ' ' LEU . 7.1 mtm -70.14 -23.6 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.2 -42.11 29.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.62 21.84 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.28 85.06 15.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.671 0.748 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.27 -24.3 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -102.06 -37.34 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 607' ' ' VAL . 65.0 tp -50.57 -62.15 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -32.2 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -56.18 22.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.21 -44.07 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 603' ' ' LEU . 86.5 t -54.95 -57.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -56.36 -43.98 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.77 -50.63 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.433 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.69 -57.86 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.42 -31.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.7 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.433 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.69 -26.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 1.043 HD23 HG21 ' A' ' 80' ' ' VAL . 2.2 tm? -74.98 -42.36 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -55.41 -29.02 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.668 0.747 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.01 97.12 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.18 -25.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -74.6 -5.07 40.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.8 168.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.75 166.54 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.71 158.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.823 0.344 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -75.18 -25.86 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -51.68 -46.99 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -52.81 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -57.54 -37.06 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 9.4 mtm -62.74 -60.27 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.431 HD22 HD21 ' B' ' 597' ' ' LEU . 78.0 mt -51.56 -50.28 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.54 90.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -46.41 90.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -30.16 59.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -75.85 -24.33 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.54 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.32 -57.88 13.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.73 -33.45 16.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 566' ' ' LEU . 49.7 mt -57.76 -55.7 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.1 mt -75.8 -20.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -57.61 -22.6 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.05 -4.35 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.4 mtm -125.27 -57.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.565 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.0 m-70 -124.57 69.39 53.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.79 32.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.549 ' HB ' HD12 ' B' ' 577' ' ' LEU . 38.0 m -56.58 -37.05 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -142.22 35.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.1 22.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.61 94.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -60.82 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.632 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.38 -31.84 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.441 ' O ' HD23 ' B' ' 586' ' ' LEU . 24.3 m -67.81 -31.73 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.69 39.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 2.8 ptm -68.17 -44.93 74.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -55.25 -47.91 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.456 ' O ' HD12 ' B' ' 586' ' ' LEU . 0.6 OUTLIER -70.49 -20.71 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -20.06 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.583 HD11 HD13 ' B' ' 585' ' ' LEU . 84.1 mt -48.22 -61.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.66 127.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.41 -28.2 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 22.4 t -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -74.91 -46.91 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.8 -44.15 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.53 ' O ' HD23 ' B' ' 594' ' ' LEU . 7.6 tt -49.44 -36.47 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -88.32 -26.29 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 46.1 mtp -69.21 -24.3 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.431 HD21 HD22 ' B' ' 562' ' ' LEU . 16.4 mt -48.8 -54.99 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.17 21.38 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.3 t -113.19 81.83 5.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -92.88 -18.41 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 9.2 t -103.76 -40.16 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 33.2 tp -50.29 -48.99 54.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.86 -46.87 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.7 m -58.59 -44.89 89.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -58.22 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.519 ' O ' HG23 ' B' ' 611' ' ' VAL . 61.7 t -51.37 -49.89 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.01 -43.41 98.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -53.45 -51.17 63.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.7 -55.88 22.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.565 HG21 ' NE2' ' B' ' 574' ' ' HIS . 98.8 t -50.08 -32.84 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.36 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -55.24 -25.2 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.522 ' O ' HD22 ' B' ' 614' ' ' LEU . 1.4 tm? -70.16 -52.85 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.429 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.7 mt-30 -53.5 -28.45 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.558 0.694 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 164.71 33.62 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -102.63 99.42 9.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.777 HG21 HD23 ' B' ' 614' ' ' LEU . 3.5 p -51.44 -28.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.28 66.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.95 -168.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.75 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 121.59 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.311 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.98 -46.05 64.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -55.04 -53.36 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -57.6 -37.19 72.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.9 mtm -61.73 -60.07 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.424 HD22 HD21 ' B' ' 597' ' ' LEU . 89.0 mt -51.89 -49.36 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.61 99.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -57.36 -45.93 83.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.5 -28.72 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.3 mt -75.79 -23.77 55.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.53 -57.91 15.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -32.91 17.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 44.8 mt -58.23 -55.99 27.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.427 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.4 mt -75.44 -20.33 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.61 -23.21 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.1 -4.27 43.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.8 mtm -125.49 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.02 69.41 58.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -14.37 36.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.534 ' HB ' HD12 ' B' ' 577' ' ' LEU . 59.5 m -61.08 -41.02 95.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -140.01 36.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.11 -51.36 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.04 96.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -54.43 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.8 pt -60.86 -31.69 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.47 ' O ' HD23 ' B' ' 586' ' ' LEU . 21.1 m -67.12 -32.07 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.43 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.8 ptm -66.91 -41.19 87.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.333 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.3 mm? -58.66 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 582' ' ' THR . 0.8 OUTLIER -61.35 -25.97 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.77 -19.36 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.9 mt -49.66 -62.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.39 126.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.18 -27.7 68.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 42.2 m -60.49 -48.51 81.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -76.45 -45.06 32.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.4 mt -51.67 -43.86 62.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 594' ' ' LEU . 0.4 OUTLIER -49.05 -38.25 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -86.48 -26.65 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 72.9 mtp -63.65 -33.64 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.424 HD21 HD22 ' B' ' 562' ' ' LEU . 18.9 mt -49.93 -49.81 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.17 21.99 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.3 t -122.85 80.29 49.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.65 24.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.65 -22.89 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -100.56 -34.04 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.0 tp -50.19 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -33.27 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -62.06 -54.97 33.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.2 OUTLIER -58.19 -45.76 87.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.39 -55.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -56.99 -41.18 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.41 -48.71 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.72 -59.34 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.13 -34.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.67 59.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.23 -25.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.777 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -73.29 -54.64 7.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.481 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.5 mt-30 -51.66 -36.56 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.638 0.733 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -129.14 103.05 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.042 HG21 HD23 ' B' ' 614' ' ' LEU . 4.1 p -49.12 -28.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -76.94 58.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -125.83 100.97 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 175.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -51.35 140.86 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' B' ' 586' ' ' LEU . 7.7 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.51 -29.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -52.14 -42.66 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -58.87 -59.63 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.01 -44.06 63.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 5.0 mmm -56.78 -54.66 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.03 -53.08 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.06 -46.25 94.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -45.63 70.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.15 -26.63 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.88 -24.2 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.51 -57.99 16.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.02 -58.29 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 581' ' ' ILE . 7.0 mt -75.61 -18.97 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 6.5 tt0 -57.58 -20.75 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.88 7.17 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 18.8 mtm -137.84 -59.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' B' ' 611' ' ' VAL . 49.9 m-70 -123.74 66.94 39.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -18.62 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.572 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.1 m -56.88 -43.54 81.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.572 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.48 35.68 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.27 25.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.77 -43.53 86.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.73 -60.94 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.607 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.9 pt -61.15 -24.73 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.45 HG22 HD23 ' B' ' 586' ' ' LEU . 12.0 m -68.07 -47.1 69.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.74 -45.63 90.7 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -68.3 -49.12 62.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.2 mm? -55.99 -58.37 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.2 pp -58.42 -26.66 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.13 -19.41 58.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' B' ' 585' ' ' LEU . 88.6 mt -49.96 -62.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.63 128.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.99 -30.98 72.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -64.4 -49.26 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.48 -48.1 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.593 HD23 ' SD ' ' B' ' 596' ' ' MET . 10.2 mt -53.1 -49.67 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.11 17.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -87.97 -29.74 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.593 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.4 ptm -71.54 -23.65 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.07 -42.16 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.35 21.82 16.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.4 t -120.47 82.25 32.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.694 0.759 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -86.3 -22.53 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 7.8 t -105.73 -33.34 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 607' ' ' VAL . 43.8 tp -50.55 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -32.43 38.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.9 t -61.07 -58.45 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' B' ' 585' ' ' LEU . 19.8 mmtp -57.62 -45.9 84.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 603' ' ' LEU . 67.2 t -52.84 -54.9 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.41 -41.62 85.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.11 -50.97 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.45 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.03 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.415 HG21 ' CE1' ' B' ' 574' ' ' HIS . 99.5 t -50.68 -30.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.08 -36.74 58.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.45 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.1 -27.3 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 1.042 HD23 HG21 ' A' ' 80' ' ' VAL . 2.5 tm? -75.02 -38.07 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.01 -23.92 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.34 11.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 103.84 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.639 HG21 HD23 ' B' ' 614' ' ' LEU . 2.4 p -51.3 -26.61 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.58 59.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.97 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 156.88 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -51.13 131.97 27.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.04 -40.84 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.1 -27.59 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -64.65 -66.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.73 -35.92 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -60.06 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 566' ' ' LEU . 79.7 mt -51.24 -51.11 57.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.65 -33.63 87.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.77 -48.27 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -29.23 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 562' ' ' LEU . 17.7 mt -75.93 -24.44 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.8 t80 -52.62 -57.89 14.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.653 0.739 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -34.09 15.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.9 mt -56.65 -54.89 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.0 mt -75.73 -19.14 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.39 -24.8 47.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.79 -17.35 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.5 mtm -105.1 -58.72 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.689 ' CD2' HG21 ' B' ' 611' ' ' VAL . 75.7 m-70 -132.65 76.46 71.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.744 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.04 32.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.565 ' HB ' HD12 ' B' ' 577' ' ' LEU . 11.9 m -51.6 -44.56 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.565 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -137.53 36.51 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.69 -51.66 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.18 92.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -55.05 -61.03 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.623 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.3 pt -60.95 -32.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.488 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.5 m -67.1 -30.69 70.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.48 30.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.2 ptm -67.79 -42.58 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.701 HD13 HD11 ' B' ' 588' ' ' ILE . 3.4 mm? -57.7 -53.41 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.7 OUTLIER -64.7 -23.56 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.49 -19.44 58.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.701 HD11 HD13 ' B' ' 585' ' ' LEU . 92.0 mt -49.01 -61.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.35 121.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -59.25 -34.11 71.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 m -63.99 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -72.19 -50.09 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.645 HD23 ' SD ' ' B' ' 596' ' ' MET . 7.3 mt -51.62 -50.25 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.06 -25.56 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.92 -32.64 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.645 ' SD ' HD23 ' B' ' 593' ' ' LEU . 1.9 ptt? -73.44 -17.98 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.12 -51.7 50.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.42 13.12 18.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.1 t -110.03 83.72 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -90.61 -24.55 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.8 m -101.86 -37.87 8.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.638 HD12 ' CE ' ' B' ' 596' ' ' MET . 3.8 tp -49.69 -62.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -32.95 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 t -62.04 -56.64 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.571 ' HB3' HD11 ' B' ' 585' ' ' LEU . 1.1 mptp? -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.68 -56.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.97 -40.12 75.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -56.79 -48.66 77.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.403 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.48 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' B' ' 574' ' ' HIS . 84.7 t -50.61 -35.02 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.04 -36.01 59.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.403 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.92 -26.41 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.639 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -73.34 -46.86 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.56 -25.64 39.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.66 0.743 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.17 54.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -96.98 98.45 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.68 -26.1 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -76.49 59.45 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.14 -169.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.63 167.67 28.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -51.53 122.68 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.5 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.304 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -19.17 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -51.48 -53.13 40.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.4 OUTLIER -51.77 -48.23 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.5 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.1 mtm -61.98 -60.32 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.93 -48.52 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.08 99.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.49 -44.06 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -29.14 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.3 mt -75.59 -24.41 56.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.531 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.92 -57.87 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.83 -32.23 18.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.3 mt -59.21 -57.94 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 HD11 ' B' ' 581' ' ' ILE . 7.7 mt -75.17 -19.29 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.12 -20.26 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.62 3.61 43.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 16.9 mtm -133.54 -59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -123.96 68.08 44.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.97 31.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.517 ' HB ' HD12 ' B' ' 577' ' ' LEU . 50.1 m -52.25 -42.52 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.517 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.9 34.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.18 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.22 91.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -53.56 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.25 -32.83 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.9 m -65.34 -31.59 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.26 -54.81 21.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.0 ptm -65.79 -40.18 91.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.2 mm? -58.98 -57.43 13.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -60.65 -24.98 65.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -76.32 -19.39 58.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' B' ' 585' ' ' LEU . 96.8 mt -49.63 -62.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.8 126.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.59 -27.37 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 19.4 t -62.55 -49.48 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.55 -47.12 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.565 HD23 ' SD ' ' B' ' 596' ' ' MET . 11.3 mt -51.6 -50.3 60.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.66 HD23 ' O ' ' B' ' 594' ' ' LEU . 7.2 tt -51.29 -28.88 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -86.92 -31.72 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.565 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.2 ptm -69.44 -24.85 63.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.45 -50.39 31.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -100.87 26.13 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 83.9 64.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -86.25 -23.17 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.0 t -103.27 -33.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.04 -62.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -32.38 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -54.49 40.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' B' ' 585' ' ' LEU . 26.7 mmtp -59.05 -46.8 87.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 90.2 t -54.24 -55.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.75 -39.86 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.82 -47.64 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.82 -52.03 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.66 -36.91 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.05 68.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -26.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.561 HD13 ' N ' ' B' ' 615' ' ' GLN . 1.2 tm? -76.46 -59.92 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.561 ' N ' HD13 ' B' ' 614' ' ' LEU . 0.6 OUTLIER -64.65 -15.15 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.889 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.662 0.744 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.04 3.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.64 96.63 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HD23 ' B' ' 614' ' ' LEU . 13.3 p -55.32 156.43 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.62 ' ND1' HG13 ' A' ' 80' ' ' VAL . 20.0 m80 67.57 48.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.67 134.55 33.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.06 138.62 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.42 125.08 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.731 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.87 -46.81 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -58.79 -21.03 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' B' ' 586' ' ' LEU . 15.2 tttp -65.25 -59.72 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.43 -39.18 82.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -60.9 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 39.2 mt -53.34 -53.8 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.77 84.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.92 -41.23 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -75.84 -30.0 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.73 -23.06 56.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.532 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.98 -58.1 14.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.75 -32.31 18.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.74 -58.9 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 581' ' ' ILE . 7.4 mt -75.39 -18.62 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.42 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.6 OUTLIER -56.52 -23.12 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -83.42 -16.41 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.8 mtm -104.7 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.403 ' CE1' HG21 ' B' ' 611' ' ' VAL . 57.0 m80 -132.42 76.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -20.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.582 ' HB ' HD12 ' B' ' 577' ' ' LEU . 25.3 m -52.88 -44.34 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.33 36.0 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.95 -51.44 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.74 -45.77 94.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -60.95 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.628 ' O ' HD23 ' B' ' 585' ' ' LEU . 2.9 pt -60.71 -34.38 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.573 ' O ' HD23 ' B' ' 586' ' ' LEU . 23.5 m -65.47 -30.33 71.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.02 -54.39 24.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -39.24 83.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.3 mm? -59.56 -60.21 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.3 pp -60.71 -23.75 65.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -76.09 -19.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.515 HD13 ' NZ ' ' B' ' 606' ' ' LYS . 86.5 mt -49.56 -61.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.14 126.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -66.19 -29.38 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 3.3 t -62.06 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.22 -41.69 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.64 -46.04 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.05 29.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -86.62 -25.17 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 63.5 mtp -66.33 -33.1 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.6 mt -50.45 -46.84 56.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.12 23.17 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.99 81.07 70.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -89.55 -15.37 33.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.3 t -108.83 -39.0 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 607' ' ' VAL . 51.0 tp -51.05 -49.58 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -55.8 -46.22 78.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -57.2 -49.45 75.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 22.1 mmtp -56.2 -59.1 5.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.2 t -51.11 -51.72 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -43.8 87.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.4 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.42 -58.12 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.403 HG21 ' CE1' ' B' ' 574' ' ' HIS . 89.4 t -51.9 -34.0 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.38 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.4 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.4 -26.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.758 HD23 HG21 ' A' ' 80' ' ' VAL . 2.3 tm? -76.3 -34.85 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -51.63 -28.62 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.598 0.713 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.75 37.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -100.31 100.62 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.02 -28.43 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.62 79.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.89 100.76 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.53 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -156.64 155.76 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.701 ' HB2' HD21 ' B' ' 586' ' ' LEU . 5.3 p90 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.793 0.33 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -78.63 -37.55 41.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.45 -51.21 48.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -52.17 54.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.3 -35.77 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 1.1 mtm -63.61 -60.29 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 51.8 mt -52.69 -48.59 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.73 -34.05 87.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.52 -46.87 86.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.66 -30.49 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.6 mt -75.81 -24.62 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.68 -58.08 12.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.72 -34.39 14.8 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 50.4 mt -55.78 -56.36 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.64 -21.6 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.82 -23.24 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.04 -6.05 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.6 mtm -122.72 -57.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.506 ' CE1' HG21 ' B' ' 611' ' ' VAL . 55.6 m-70 -126.02 70.49 67.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -9.37 25.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.58 ' HB ' HD12 ' B' ' 577' ' ' LEU . 31.5 m -66.73 -41.74 87.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.89 35.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.02 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.29 -46.38 86.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -60.64 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.631 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.6 pt -62.47 -25.5 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.447 ' O ' HD23 ' B' ' 586' ' ' LEU . 15.5 m -71.5 -33.46 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.92 58.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.06 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.7 mm? -60.92 -57.62 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -63.31 -22.85 67.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -76.15 -19.51 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 87.9 mt -49.85 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.82 128.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.88 -28.79 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.8 t -60.85 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.0 -44.05 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.9 mt -49.34 -35.54 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -89.4 -26.5 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 47.8 mtp -69.27 -24.05 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.91 -54.92 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.65 22.59 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.2 t -113.65 79.05 4.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -91.32 -18.21 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 m -104.52 -43.58 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 607' ' ' VAL . 42.9 tp -50.44 -48.92 56.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -52.11 -57.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.3 -50.13 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.435 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -51.29 -52.97 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 603' ' ' LEU . 28.2 t -54.29 -54.08 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.43 -40.33 78.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.48 -51.23 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.1 -57.55 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.506 HG21 ' CE1' ' B' ' 574' ' ' HIS . 94.1 t -50.46 -36.14 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.0 60.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -55.81 -24.65 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.548 ' O ' HD22 ' B' ' 614' ' ' LEU . 1.2 tm? -73.22 -55.14 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.506 ' N ' HD13 ' B' ' 614' ' ' LEU . 5.8 mt-30 -56.85 -27.44 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.902 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.642 0.734 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.08 20.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -80.97 101.05 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' ND1' ' A' ' 81' ' ' HIS . 7.1 p -60.3 156.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.609 ' ND1' HG13 ' A' ' 80' ' ' VAL . 21.5 m80 68.9 28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.29 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.14 138.35 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.95 137.54 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.94 -23.41 13.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.77 -50.62 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -51.81 -47.7 64.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.59 -38.17 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 6.2 mtm -63.35 -59.97 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.429 ' O ' HD12 ' B' ' 566' ' ' LEU . 90.2 mt -51.64 -50.23 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.52 -32.76 84.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.17 -48.32 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -29.71 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.687 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.4 mt -75.66 -24.57 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.37 -58.06 13.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.81 -32.9 17.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.1 mt -57.32 -56.57 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.433 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.8 mt -75.25 -20.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -58.07 -23.41 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.58 -2.95 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.07 -56.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.664 ' CE1' HG21 ' B' ' 611' ' ' VAL . 37.1 m80 -126.98 69.11 72.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -13.02 34.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.573 ' HB ' HD12 ' B' ' 577' ' ' LEU . 26.1 m -61.96 -42.5 99.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.89 36.53 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.94 -53.26 20.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.44 87.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -61.04 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.59 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.27 -24.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.61 HG22 HD23 ' B' ' 586' ' ' LEU . 13.1 m -68.72 -43.87 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -59.74 -43.91 97.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -47.2 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.59 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.6 mm? -55.59 -57.46 11.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.794 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.1 pp -62.9 -23.3 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.76 -19.4 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.528 HD11 HD13 ' B' ' 585' ' ' LEU . 96.9 mt -50.34 -62.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.26 127.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -64.84 -30.33 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 26.0 t -61.03 -49.41 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.34 -45.02 57.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.2 mt -52.62 -44.67 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.36 -35.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.43 -27.05 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 48.2 mtp -68.2 -24.81 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.76 -51.09 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.34 23.18 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.7 t -117.29 80.81 12.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.699 0.761 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.24 -24.51 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -101.09 -36.56 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 607' ' ' VAL . 63.8 tp -50.43 -61.7 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -33.81 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -61.88 -60.32 3.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 37.6 mmtm -53.58 -45.73 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 603' ' ' LEU . 92.4 t -54.56 -53.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.02 -40.88 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.76 -51.89 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.19 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.664 HG21 ' CE1' ' B' ' 574' ' ' HIS . 97.1 t -56.42 -47.42 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.37 73.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -68.95 -26.1 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 614' ' ' LEU . 2.0 tm? -75.42 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.528 ' N ' HD13 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -55.83 -25.39 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.463 ' O ' HG11 ' B' ' 613' ' ' VAL . 54.3 Cg_endo -69.71 118.13 5.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.635 2.224 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -67.94 104.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.764 HG21 HD23 ' B' ' 614' ' ' LEU . 5.3 p -57.18 -20.97 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -83.1 4.19 27.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 100.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.32 163.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.87 143.53 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.91 -41.69 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -54.11 -33.12 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.99 -64.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -56.75 -36.08 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -60.28 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.58 -50.5 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . 0.465 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -60.95 -45.17 97.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.1 -41.23 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.354 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.58 -30.02 59.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.71 -23.64 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.32 -57.94 14.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.683 0.754 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.82 -32.0 19.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 569' ' ' LEU . 23.2 mt -59.99 -58.31 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.593 HG21 HD11 ' B' ' 581' ' ' ILE . 5.5 mt -75.01 -18.72 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 11.9 tt0 -57.8 -21.92 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.36 4.42 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 36.6 mtm -131.15 -59.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.472 ' ND1' HG21 ' B' ' 611' ' ' VAL . 40.7 m170 -132.19 70.02 80.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.515 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 54.3 Cg_endo -69.74 -27.26 26.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.489 ' HB ' HD12 ' B' ' 577' ' ' LEU . 8.8 m -50.8 -32.66 20.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.6 OUTLIER -142.75 27.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.12 -56.34 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.95 68.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.66 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.661 HD12 HG13 ' B' ' 607' ' ' VAL . 5.2 pt -62.67 -23.78 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.3 m -69.3 -45.97 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.6 -41.91 95.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 1.3 mtm -70.03 -55.06 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mp -52.31 -56.88 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.465 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -59.28 -27.46 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.37 -19.49 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 74.1 mt -50.35 -62.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . 0.415 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.03 127.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -60.76 -31.71 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 58.0 m -63.52 -50.86 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.63 -46.67 62.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.726 HD23 ' HE2' ' B' ' 596' ' ' MET . 10.2 mt -53.51 -45.5 69.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.11 -31.93 14.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -92.65 -25.58 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.726 ' HE2' HD23 ' B' ' 593' ' ' LEU . 16.5 mtm -70.07 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.42 -42.01 30.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.71 24.38 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.3 t -116.03 82.65 11.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.91 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -93.58 -2.23 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -47.59 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.717 ' O ' HG23 ' B' ' 607' ' ' VAL . 39.4 tp -50.28 -45.82 54.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.59 -55.18 38.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.8 t -49.35 -45.35 45.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 12.9 mmtp -60.52 -54.01 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 603' ' ' LEU . 36.7 t -51.46 -48.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.03 -41.09 99.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.79 -45.27 78.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.659 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -68.23 -57.79 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.472 HG21 ' ND1' ' B' ' 574' ' ' HIS . 67.8 t -51.07 -36.51 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.98 -32.45 59.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -57.57 -25.41 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.764 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -75.01 -53.43 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . 0.475 ' N ' HD13 ' B' ' 614' ' ' LEU . 13.4 mt-30 -51.32 -30.79 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm 60.35 73.09 0.67 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -10.41 28.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' VAL . 12.4 t80 -115.17 -29.42 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' VAL . 2.5 p 36.0 78.71 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' B' ' 610' ' ' ALA . 54.0 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -102.77 99.46 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -57.23 -25.49 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -74.69 -4.62 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.45 168.16 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.49 154.12 30.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -51.89 167.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.2 OUTLIER -98.42 -30.96 12.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.5 m -57.29 155.39 18.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.635 0.731 . . . . 0.0 111.11 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 130.05 18.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.378 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -69.33 110.88 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -128.35 176.11 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp 57.51 95.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 176.38 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.33 175.33 25.94 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -27.14 26.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -120.19 159.49 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -79.59 160.59 69.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.686 0.755 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -172.1 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' B' ' 565' ' ' ARG . 44.3 mt -110.62 156.26 21.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 73.1 p -149.54 153.57 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.61 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 22.2 t -68.7 -35.84 77.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 7.0 ttt -79.29 -39.76 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.449 HD12 ' HG2' ' B' ' 558' ' ' GLN . 4.4 mm? -62.67 -25.93 68.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -76.4 -39.79 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 48.2 m -52.09 -47.55 65.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -82.97 160.41 60.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.0 Cg_endo -69.76 167.83 23.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -15.0 36.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -88.53 -25.75 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.71 -25.92 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.449 ' HG2' HD12 ' B' ' 550' ' ' LEU . 4.6 mt-30 -51.96 -49.22 63.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -51.68 -48.17 63.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.4 -39.67 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 7.3 mtm -60.75 -59.99 4.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 54.0 mt -51.78 -49.12 63.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.15 -39.72 98.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.446 ' HB2' HD11 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.53 -29.62 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.726 ' HA ' HD12 ' B' ' 569' ' ' LEU . 12.6 mt -75.59 -24.6 56.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.5 -57.86 14.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -32.49 18.28 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.8 mt -58.8 -58.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.456 HG21 HD11 ' B' ' 581' ' ' ILE . 8.3 mt -75.29 -18.79 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.36 -21.11 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -84.34 -7.5 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.8 mtm -118.84 -60.1 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.424 ' CE1' HG21 ' B' ' 611' ' ' VAL . 63.0 m80 -126.55 72.11 73.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -22.34 32.01 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.577 ' HB ' HD12 ' B' ' 577' ' ' LEU . 30.3 m -52.19 -43.78 64.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -138.89 36.28 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.54 -49.71 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.29 91.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -52.35 -60.5 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.4 pt -60.48 -34.01 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.59 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.8 m -66.34 -28.74 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -67.19 -54.02 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -40.87 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -59.45 -59.13 5.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -62.23 -23.01 66.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.01 -19.38 58.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.85 -62.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.81 130.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.79 -27.4 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -62.17 -51.27 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -72.02 -44.8 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.8 mt -53.75 -44.39 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.96 -39.36 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.6 -27.38 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.804 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.4 mtp -64.3 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.78 -49.78 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.69 19.88 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -121.3 79.11 35.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -88.22 -23.74 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.4 m -101.95 -35.56 8.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 607' ' ' VAL . 58.8 tp -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -33.11 35.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.3 t -61.08 -57.01 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -58.05 -46.19 85.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 603' ' ' LEU . 96.0 t -52.6 -57.19 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.56 -43.25 79.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -52.89 -49.18 66.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.44 -52.89 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.2 t -50.39 -35.92 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.28 -34.61 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.431 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.91 -22.72 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.52 ' C ' HD13 ' B' ' 614' ' ' LEU . 2.4 tm? -72.35 -57.09 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.407 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.7 mt-30 -53.71 -33.94 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -52.95 -56.48 15.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -70.81 -63.81 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -165.67 145.37 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -121.71 126.21 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -104.18 165.13 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -104.84 60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -96.92 122.09 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -166.96 70.11 1.01 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -10.67 29.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -120.81 132.55 55.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p -112.46 76.18 1.94 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' O ' HG11 ' B' ' 613' ' ' VAL . 53.3 Cg_endo -69.8 123.89 10.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -72.35 101.56 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.818 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -49.47 -29.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -77.34 58.79 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.54 103.56 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.1 173.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.64 145.8 8.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 86' ' ' VAL . 4.6 p90 -69.89 136.56 50.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 85' ' ' PHE . 0.3 OUTLIER -159.87 158.83 27.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.33 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.5 p -124.62 128.17 48.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 90' ' ' LEU . 4.8 p90 -110.05 -22.71 11.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD12 ' CD1' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -130.17 163.03 27.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -123.93 28.99 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.31 -178.29 15.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.84 2.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.253 . . . . 0.0 112.322 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.58 16.4 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.81 160.43 27.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -169.71 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.649 HD21 ' HG3' ' B' ' 565' ' ' ARG . 0.2 OUTLIER -134.97 159.97 39.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 20.4 p -134.98 176.08 8.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.446 ' HB2' HD11 ' B' ' 594' ' ' LEU . . . -51.67 -30.07 20.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 42.5 t -62.85 -49.17 75.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.9 ttt -79.54 -25.25 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.443 HD12 ' OE1' ' B' ' 558' ' ' GLN . 0.2 OUTLIER -64.44 -28.51 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -71.79 -27.56 63.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 2.5 t -55.23 -26.5 40.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -104.54 160.4 26.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.74 167.93 22.99 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.43 34.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -97.03 0.4 48.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -116.01 -21.34 9.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.49 ' NE2' HD22 ' B' ' 590' ' ' ASN . 19.6 mt-30 -48.44 -45.44 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -56.17 -43.31 78.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -62.93 -42.31 99.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.4 mtp -60.53 -60.24 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.66 -49.07 63.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.25 99.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.86 -44.43 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.649 ' HG3' HD21 ' B' ' 545' ' ' LEU . 1.1 mmp_? -75.88 -29.15 58.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.0 mt -75.74 -22.3 56.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.5 -57.98 17.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.79 -30.98 21.28 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.5 mt -60.52 -55.99 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.598 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.45 -19.51 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -57.9 -20.79 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -88.45 9.79 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.6 mtm -139.2 -59.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -130.28 67.53 80.06 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.573 0.702 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.1 Cg_endo -69.75 -24.39 29.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.527 ' HB ' HD12 ' B' ' 577' ' ' LEU . 18.2 m -51.11 -37.66 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.26 30.62 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.11 -55.83 13.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.65 -41.31 65.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.24 -62.35 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.663 HD12 HG13 ' B' ' 607' ' ' VAL . 4.6 pt -60.19 -24.88 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.469 HG22 HD23 ' B' ' 586' ' ' LEU . 21.7 m -69.43 -46.4 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.57 -43.21 85.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -52.23 19.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 606' ' ' LYS . 4.0 mp -54.39 -53.56 52.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.469 HD23 HG22 ' B' ' 582' ' ' THR . 0.7 OUTLIER -63.44 -25.35 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.07 -19.22 58.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 98.1 mt -50.35 -62.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . 0.441 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.65 126.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.49 HD22 ' NE2' ' B' ' 558' ' ' GLN . 17.1 m-20 -63.85 -29.19 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.0 t -60.92 -49.91 75.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -76.44 -44.67 34.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.441 HD12 ' C ' ' B' ' 589' ' ' ASP . 14.3 mt -51.68 -45.24 63.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' B' ' 547' ' ' ALA . 1.5 mt -49.93 -31.75 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 45.3 mtp -69.25 -24.98 64.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.22 -46.67 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -103.06 23.7 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 3.5 t -115.63 82.15 9.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.17 22.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -92.48 -1.14 57.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.2 t -125.31 -47.4 1.74 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.0 tp -50.24 -47.02 55.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -54.87 -57.65 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -45.43 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.455 ' HB3' HD21 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -56.57 -55.48 33.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.663 HG13 HD12 ' B' ' 581' ' ' ILE . 62.2 t -52.89 -55.9 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -55.97 -42.55 76.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -47.02 76.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.547 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -63.91 -59.39 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.99 -37.45 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.03 -34.5 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.62 -26.11 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -74.76 -54.51 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.453 ' N ' HD13 ' B' ' 614' ' ' LEU . 11.0 mt-30 -55.41 -26.11 39.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -77.08 -27.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -81.99 179.8 7.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -153.93 -63.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -168.77 166.99 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -106.66 -24.85 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -57.69 139.47 53.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -76.54 -73.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -104.33 160.63 25.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.549 0.69 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 101.21 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -59.01 141.64 53.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.6 p -112.84 75.56 1.96 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.72 160.43 49.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.36 99.35 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' HG13 ' B' ' 613' ' ' VAL . 2.2 p -50.49 -28.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -77.06 58.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.0 -168.99 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.2 169.36 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.606 ' HB3' HG22 ' A' ' 86' ' ' VAL . 31.3 mt-10 -51.62 121.84 7.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD21 ' B' ' 586' ' ' LEU . 12.8 p90 -51.77 -30.68 23.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 84' ' ' GLU . 5.9 m -58.7 155.41 30.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 114.38 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 m -93.36 133.5 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -137.56 175.94 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.88 26.55 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 162.58 40.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.69 -171.64 5.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -17.8 37.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.34 161.29 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -129.7 137.43 30.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.709 0.766 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.36 1.47 Allowed 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.662 2.242 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.8 146.94 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 21.0 p -145.51 -178.7 6.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.48 69.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 5.8 m -58.37 -23.43 56.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 14.1 ttt -78.06 -64.45 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.545 HD22 ' HG2' ' B' ' 558' ' ' GLN . 40.9 mt -60.67 -19.71 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . 59.55 41.11 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.8 t 55.21 26.66 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -52.6 160.5 1.36 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.519 0.676 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.74 167.93 22.99 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -11.1 30.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -80.75 -26.0 37.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -105.6 -49.25 3.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.545 ' HG2' HD22 ' B' ' 550' ' ' LEU . 25.1 mt-30 -51.87 -30.73 25.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -58.7 -64.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -54.08 -35.2 61.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -60.22 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 85.5 mt -51.4 -50.83 58.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.02 -37.07 94.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.07 -47.28 85.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -75.82 -28.49 58.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.7 mt -75.59 -24.46 56.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -53.62 -57.95 15.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.79 -31.54 20.2 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.264 . . . . 0.0 112.323 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' B' ' 566' ' ' LEU . 41.8 mt -58.94 -58.72 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.577 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.35 -18.81 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.411 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.7 OUTLIER -58.21 -20.66 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.45 -9.54 54.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.9 mtm -113.9 -60.61 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -130.26 72.75 81.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.596 0.712 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.87 37.27 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.583 ' HB ' HD12 ' B' ' 577' ' ' LEU . 32.4 m -55.32 -40.73 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.89 34.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.11 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.01 -41.52 68.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -58.54 -61.18 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.587 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.8 pt -63.29 -22.57 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.62 HG22 HD23 ' B' ' 586' ' ' LEU . 17.6 m -68.74 -49.06 61.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -57.98 -41.15 94.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.3 mtp -70.44 -49.26 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.587 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.8 mm? -55.82 -55.48 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.626 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.2 pp -62.75 -24.98 67.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.74 -19.45 59.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.577 HD11 HD13 ' B' ' 585' ' ' LEU . 96.6 mt -50.45 -62.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.86 128.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.07 -30.38 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 t -60.76 -49.13 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -74.05 -45.11 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.03 -44.83 64.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.95 -36.91 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -87.44 -25.32 23.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 84.6 mtp -70.94 -24.16 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.0 mt -49.1 -51.38 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -99.2 22.81 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.1 t -114.8 78.41 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.697 0.76 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -91.67 -14.14 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 38.1 t -111.69 -40.3 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.639 ' O ' HG23 ' B' ' 607' ' ' VAL . 62.0 tp -50.51 -54.74 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -53.61 -47.86 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 5.9 t -52.38 -53.71 41.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -55.66 -49.23 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 603' ' ' LEU . 48.5 t -50.76 -52.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.76 -41.51 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -54.48 -50.2 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.409 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.38 -52.69 60.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 607' ' ' VAL . 90.7 t -50.72 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.78 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -59.06 -23.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.423 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -73.87 -41.96 61.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -22.24 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -94.23 32.35 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -151.96 142.88 23.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -101.18 126.14 47.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -176.41 -176.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -130.26 -179.87 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -111.89 48.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 53.63 41.4 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 54.21 68.37 2.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.537 0.684 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 132.93 24.33 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -53.95 144.04 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 m -113.37 73.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.8 58.36 Favored 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -88.06 100.02 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' B' ' 617' ' ' HIS . 2.1 p -57.13 -26.14 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -73.35 -5.8 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.35 167.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.93 162.6 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.67 147.38 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CE1' HG13 ' A' ' 86' ' ' VAL . 2.0 p90 -74.75 -29.45 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 85' ' ' PHE . 12.2 m -66.65 154.72 90.86 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.657 0.742 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -118.16 109.37 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -119.66 -25.06 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.7 tp -152.31 160.11 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -123.83 39.89 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 176.63 37.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -171.54 0.48 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -97.16 69.26 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.88 160.3 0.12 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.19 2.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.741 HD21 ' HG3' ' B' ' 565' ' ' ARG . 3.5 mp -109.3 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 64.9 p -151.06 154.47 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.9 -33.99 39.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 8.3 t -56.06 -28.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.1 ttt -89.8 -34.52 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.23 -21.02 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -94.16 20.89 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.6 t -117.95 -29.53 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -106.98 160.36 26.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.535 0.683 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.7 167.91 23.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.11 34.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -84.17 -25.78 29.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.17 -27.15 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -52.02 -51.28 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -52.04 -47.31 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.21 -38.72 84.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.02 -60.23 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.403 ' O ' HD12 ' B' ' 566' ' ' LEU . 77.9 mt -51.42 -49.44 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.69 -37.1 93.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.95 -45.19 93.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.741 ' HG3' HD21 ' B' ' 545' ' ' LEU . 1.4 mmp_? -75.96 -30.7 58.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.403 HD12 ' O ' ' B' ' 562' ' ' LEU . 15.3 mt -75.69 -22.61 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.12 -58.16 14.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -32.21 18.94 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.52 -55.65 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.424 HG21 ' CD1' ' B' ' 581' ' ' ILE . 6.5 mt -75.51 -19.74 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.25 -23.68 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.38 -14.7 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.7 mtm -108.48 -58.04 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' B' ' 611' ' ' VAL . 33.9 m80 -132.19 75.18 75.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.96 34.05 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.472 ' HB ' HD12 ' B' ' 577' ' ' LEU . 2.8 m -62.11 -42.69 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -136.27 35.22 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.86 -56.35 10.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.45 -42.11 74.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -58.41 -61.35 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.581 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -62.65 -23.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.406 HG22 HD23 ' B' ' 586' ' ' LEU . 17.0 m -68.28 -47.96 66.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.63 -42.05 95.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.522 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.02 -48.5 57.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.64 HD13 HD11 ' B' ' 588' ' ' ILE . 2.8 mm? -56.28 -57.06 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.406 HD23 HG22 ' B' ' 582' ' ' THR . 1.3 pp -61.13 -24.98 66.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -76.12 -19.45 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.64 HD11 HD13 ' B' ' 585' ' ' LEU . 97.0 mt -49.77 -62.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.81 126.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.96 -29.72 70.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.81 -46.65 88.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -77.41 -41.93 38.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.14 -45.61 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.8 mt -50.0 -32.78 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -91.87 -25.35 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 62.1 mtp -65.28 -33.53 76.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.9 mt -49.64 -41.66 43.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.97 29.0 7.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.24 80.11 64.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.691 0.758 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -8.15 22.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -87.06 -15.2 39.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.9 t -112.19 -38.21 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.644 ' O ' HG23 ' B' ' 607' ' ' VAL . 55.6 tp -50.79 -50.25 56.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -55.52 -43.67 75.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.8 m -58.69 -56.13 26.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 69.9 mmtt -51.52 -56.11 15.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.644 HG23 ' O ' ' B' ' 603' ' ' LEU . 39.0 t -50.71 -48.9 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -61.54 -41.11 96.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.06 -48.89 75.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.59 -53.26 54.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.6 t -51.6 -36.5 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.43 61.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.438 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -64.4 -23.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.57 ' C ' HD13 ' B' ' 614' ' ' LEU . 2.2 tm? -70.72 -56.27 6.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.439 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -53.86 -40.97 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.9 71.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.442 ' HB2' HG11 ' A' ' 80' ' ' VAL . 39.3 t-80 -63.46 -27.34 69.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -54.3 -56.78 15.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.74 159.55 32.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 623' ' ' ALA . 30.1 mtmm -127.15 83.08 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.27 -29.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -98.42 48.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' B' ' 620' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.813 0.34 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -66.16 160.74 62.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 177.97 5.09 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -57.77 138.15 55.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.14 73.61 1.74 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.6 Cg_endo -69.73 130.38 19.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.282 . . . . 0.0 112.375 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.35 104.2 12.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.92 HG21 HD23 ' B' ' 614' ' ' LEU . 2.9 p -52.43 -24.32 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.653 ' CD2' HG13 ' A' ' 80' ' ' VAL . 27.9 m-70 -84.83 52.55 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.54 102.74 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 163.28 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -51.86 136.8 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -56.67 -27.01 57.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -104.98 133.33 20.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.4 Cg_endo -69.79 175.06 8.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m 63.49 50.06 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' HE1' HD13 ' A' ' 90' ' ' LEU . 35.4 p90 -108.95 -23.42 11.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD13 ' HE1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -116.87 -63.33 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.49 164.85 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 61.99 -177.05 5.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 176.75 6.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.89 35.98 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -121.27 160.57 45.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -178.8 2.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.538 HD13 ' HG3' ' B' ' 565' ' ' ARG . 1.8 pt? -75.41 150.78 38.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 34.4 p -138.54 164.97 28.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 1.039 ' HB2' HD11 ' B' ' 594' ' ' LEU . . . -59.09 -20.29 52.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 18.8 t -67.01 -37.95 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -91.17 -31.18 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.497 HD11 ' HG2' ' B' ' 558' ' ' GLN . 0.6 OUTLIER -71.57 -27.75 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.64 -19.01 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 m -93.9 16.68 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -120.52 160.08 45.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.698 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -10.42 28.53 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.697 2.264 . . . . 0.0 112.363 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -97.19 -23.61 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.71 -39.47 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.497 ' HG2' HD11 ' B' ' 550' ' ' LEU . 0.6 OUTLIER -52.74 -30.98 35.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.64 -71.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -33.57 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -60.45 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 31.0 mt -52.21 -48.43 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.25 90.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -45.78 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.538 ' HG3' HD13 ' B' ' 545' ' ' LEU . 6.8 mmp_? -75.76 -30.93 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.5 mt -75.67 -24.59 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.83 -58.13 12.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -34.35 14.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.309 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.5 mt -54.93 -57.19 12.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.457 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.64 -21.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -58.11 -22.92 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.14 -4.9 49.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 28.6 mtm -124.26 -57.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -125.77 70.27 65.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.563 0.697 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.382 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.57 ' HB ' HD12 ' B' ' 577' ' ' LEU . 23.0 m -67.22 -42.86 83.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.57 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.06 32.68 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.69 -54.76 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.78 -41.59 75.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -61.79 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.634 HD12 HG13 ' B' ' 607' ' ' VAL . 4.2 pt -59.97 -26.15 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.595 HG22 HD23 ' B' ' 586' ' ' LEU . 22.2 m -68.78 -45.13 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.14 -45.83 86.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -49.12 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.22 -57.77 11.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.595 HD23 HG22 ' B' ' 582' ' ' THR . 1.0 OUTLIER -58.76 -26.37 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -76.23 -19.5 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 88.4 mt -50.62 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.51 130.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.04 -29.71 70.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 15.3 t -59.74 -49.55 77.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.31 -44.47 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.45 -43.81 62.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 1.039 HD11 ' HB2' ' B' ' 547' ' ' ALA . 0.4 OUTLIER -49.21 -33.11 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.0 -26.23 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 79.0 mtp -62.92 -33.82 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.65 -43.29 46.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.68 27.51 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.3 82.16 69.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.22 -12.03 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 37.9 m -114.12 -40.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.67 -55.3 17.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -53.87 -37.76 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -48.76 78.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -59.1 -54.02 51.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.634 HG13 HD12 ' B' ' 581' ' ' ILE . 58.0 t -52.92 -55.5 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -57.22 -41.77 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -55.79 -47.4 77.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.496 ' HB1' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -59.23 4.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.52 -37.32 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.69 -34.97 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -54.56 -26.34 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.92 HD23 HG21 ' A' ' 80' ' ' VAL . 1.8 tm? -74.4 -51.3 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.33 -30.19 27.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.5 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -67.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -110.65 140.97 44.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -155.21 -173.58 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -136.95 178.94 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.99 -38.4 90.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.87 80.52 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.913 0.387 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -100.48 160.68 26.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.551 0.691 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 113.66 3.45 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.66 132.97 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.4 p -112.43 75.92 1.86 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.638 0.733 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.464 ' O ' HG21 ' B' ' 613' ' ' VAL . 54.0 Cg_endo -69.67 129.25 17.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -76.55 103.78 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' B' ' 614' ' ' LEU . 2.1 p -50.3 -28.06 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -77.02 59.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.77 101.57 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.56 176.56 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.47 154.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -76.54 179.53 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG22 ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER 65.54 148.94 0.11 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.665 ' HD2' HG22 ' A' ' 86' ' ' VAL . 53.4 Cg_endo -69.79 82.33 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.361 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 p -97.89 145.4 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -130.08 26.51 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.97 177.5 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 26.43 7.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.04 172.7 13.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.68 37.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.391 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -151.15 136.7 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -99.97 160.54 26.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.55 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.639 HD23 ' CD1' ' B' ' 550' ' ' LEU . 8.6 mp -112.35 147.37 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 24.4 p -126.54 171.65 10.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.65 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 16.8 t -68.01 -30.4 69.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.4 ttt -77.97 -51.16 10.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.676 HD23 ' OE1' ' B' ' 558' ' ' GLN . 0.7 OUTLIER -58.39 -34.0 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.74 -29.9 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 14.3 m -57.77 -26.16 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -98.81 160.43 27.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 111.053 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.5 Cg_endo -69.74 167.92 23.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.97 35.39 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -91.39 -25.27 19.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -93.97 -29.01 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.676 ' OE1' HD23 ' B' ' 550' ' ' LEU . 6.3 mt-30 -52.1 -47.63 65.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.517 ' O ' HD13 ' B' ' 586' ' ' LEU . 38.3 mtmt -53.4 -54.34 38.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -55.99 -39.47 71.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 2.1 mtm -59.63 -60.09 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 593' ' ' LEU . 53.0 mt -51.36 -48.01 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . 0.536 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -63.14 -42.51 99.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.585 ' HG3' HD22 ' B' ' 545' ' ' LEU . 1.2 mmp_? -75.53 -28.9 59.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.84 -22.98 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.537 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.6 -57.89 16.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.75 -32.5 18.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 42.2 mt -59.44 -57.04 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.595 HG21 HD11 ' B' ' 581' ' ' ILE . 8.2 mt -75.21 -19.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.74 -19.96 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.57 -9.48 54.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 35.1 mtm -114.84 -60.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -128.81 72.64 81.46 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.43 37.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.594 ' HB ' HD12 ' B' ' 577' ' ' LEU . 27.3 m -55.85 -41.58 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -141.08 34.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.16 -57.55 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -54.84 -41.46 75.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.31 -61.67 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.815 HD12 HG13 ' B' ' 607' ' ' VAL . 4.5 pt -63.28 -24.32 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 18.9 m -68.4 -41.91 79.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.67 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -48.74 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.78 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.536 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -58.89 -26.67 64.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.32 -19.51 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 84.4 mt -50.32 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.33 131.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -65.38 -27.93 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 13.8 t -60.85 -52.71 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.23 -45.67 59.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.579 HD13 HD13 ' B' ' 562' ' ' LEU . 17.0 mt -51.86 -43.64 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 594' ' ' LEU . 12.8 mt -49.09 -33.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -92.15 -27.54 17.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 86.6 mtp -67.59 -23.51 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.2 mt -48.69 -53.8 17.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.9 22.05 9.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -114.38 81.57 6.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -87.19 -23.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 30.9 t -101.48 -39.55 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.9 tp -50.3 -62.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -33.12 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -53.77 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.44 92.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.815 HG13 HD12 ' B' ' 581' ' ' ILE . 94.9 t -55.92 -60.02 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.077 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.44 -38.66 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -58.42 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.533 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.15 -43.64 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.5 75.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -60.14 -22.8 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -71.65 -44.46 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -71.68 -33.03 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -54.27 -49.03 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.64 -68.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -144.9 177.14 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -159.0 123.6 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -127.99 174.84 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.6 133.61 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -94.58 -36.37 11.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 58.17 71.19 1.07 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 177.03 6.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.617 2.211 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.74 146.2 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.0 t -113.83 72.43 2.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.74 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.1 9.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -114.53 103.53 11.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.889 HG21 HD23 ' B' ' 614' ' ' LEU . 3.6 p -50.59 -27.66 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -76.72 59.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -130.18 103.48 6.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.97 173.99 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -51.77 158.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -86.67 138.6 31.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.667 HG22 ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER 178.69 149.25 0.41 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.719 . . . . 0.0 111.13 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 86' ' ' VAL . 53.4 Cg_endo -69.81 -49.28 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.246 . . . . 0.0 112.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.1 p -61.01 136.68 58.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -114.53 -26.32 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 -64.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -80.84 156.73 25.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.4 68.0 1.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -170.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -122.37 16.3 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.45 160.68 16.98 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -178.32 2.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.606 HD11 ' HG3' ' B' ' 565' ' ' ARG . 66.2 mt -115.22 151.31 34.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 545' ' ' LEU . 0.8 OUTLIER -160.31 176.19 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -74.79 -36.57 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 18.2 t -69.25 -26.31 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 8.7 ttt -93.63 -41.6 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.627 ' O ' HD13 ' B' ' 550' ' ' LEU . 3.2 tm? -63.17 -28.67 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -83.94 -28.91 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 22.6 t -53.12 -49.7 65.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -74.26 160.4 81.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.701 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.78 167.83 23.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -12.1 32.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -93.94 -24.83 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -96.4 -24.91 15.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -52.03 -50.33 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -52.12 -47.64 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.25 -37.1 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.3 mtm -62.93 -59.2 5.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 44.4 mt -52.9 -48.64 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . 0.403 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.8 -38.19 95.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.48 -45.79 90.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.606 ' HG3' HD11 ' B' ' 545' ' ' LEU . 1.0 OUTLIER -75.65 -30.0 59.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.6 mt -75.89 -22.88 55.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.96 -58.03 15.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.77 -33.24 16.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 46.6 mt -57.89 -55.85 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.7 mt -75.55 -20.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -57.94 -23.15 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.87 -4.42 43.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 14.6 mtm -125.55 -57.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -124.85 69.33 56.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.76 31.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.553 ' HB ' HD12 ' B' ' 577' ' ' LEU . 36.0 m -53.96 -39.24 65.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.553 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -141.16 36.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.16 -52.21 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.53 94.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.443 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.411 ' HD3' HD23 ' B' ' 577' ' ' LEU . 43.1 mtpt -54.52 -60.78 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.32 -33.18 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.473 ' O ' HD23 ' B' ' 586' ' ' LEU . 22.0 m -65.93 -30.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.47 -54.57 22.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.488 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 4.3 ptm -65.86 -41.34 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -59.47 -56.56 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.473 HD23 ' O ' ' B' ' 582' ' ' THR . 0.7 OUTLIER -60.1 -26.59 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -75.95 -19.33 58.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.6 HD11 HD13 ' B' ' 585' ' ' LEU . 86.3 mt -48.82 -61.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.34 124.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -66.69 -29.2 69.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -44.69 96.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.2 -44.75 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.3 mt -52.29 -44.57 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.59 ' O ' HD13 ' B' ' 594' ' ' LEU . 0.6 OUTLIER -49.47 -37.72 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.71 -26.01 24.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 54.2 mtp -69.81 -24.65 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 17.0 mt -48.84 -54.64 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -95.03 21.93 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.0 t -117.67 81.47 14.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.77 -24.05 22.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.6 m -100.84 -36.39 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 607' ' ' VAL . 52.4 tp -50.5 -62.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -33.17 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -61.45 -57.3 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.6 OUTLIER -57.28 -45.19 84.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 603' ' ' LEU . 97.9 t -53.84 -56.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -56.53 -41.63 77.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -55.3 -48.89 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.435 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -63.15 -58.88 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 92.3 t -50.44 -32.4 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.81 -36.59 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.53 -25.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -70.71 -51.32 28.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.432 ' N ' HD13 ' B' ' 614' ' ' LEU . 7.2 mt-30 -58.61 -22.55 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -81.09 -0.6 40.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -98.84 176.32 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -135.8 -58.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.67 179.43 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -153.57 121.98 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -160.72 131.11 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 55.4 53.66 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.09 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.826 0.346 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -163.21 69.56 1.86 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.35 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.38 146.23 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.7 72.68 2.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.479 ' O ' HG21 ' B' ' 613' ' ' VAL . 53.7 Cg_endo -69.74 152.35 69.37 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.51 101.14 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.878 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -52.73 -27.42 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -76.99 60.38 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.69 -169.52 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.63 166.25 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -51.69 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.727 ' HB2' HD21 ' B' ' 586' ' ' LEU . 6.5 p90 -67.9 -25.87 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -118.03 133.34 23.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.6 Cg_endo -69.8 136.84 33.9 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.0 p -82.55 177.29 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' A' ' 90' ' ' LEU . 8.1 p90 -115.57 -20.18 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 89' ' ' PHE . 12.5 mt -127.07 129.3 47.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -29.13 21.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -57.95 165.97 6.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 133.58 25.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.275 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.819 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -109.41 150.62 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.25 132.46 1.4 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.68 0.753 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.21 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.48 ' HB2' HD13 ' B' ' 597' ' ' LEU . 3.3 mt -112.88 158.59 20.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 29.1 p -133.46 163.04 30.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -66.21 -13.71 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 31.3 t -78.5 -41.29 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.481 ' HG3' HD22 ' B' ' 550' ' ' LEU . 9.0 ptp -79.38 -30.92 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.523 HD12 ' HG2' ' B' ' 558' ' ' GLN . 3.7 mm? -78.15 -24.95 47.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -77.48 -34.25 54.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 61.7 m -52.25 -31.32 31.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -104.1 160.58 25.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.81 168.49 21.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.27 . . . . 0.0 112.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -24.3 29.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -77.16 -22.28 52.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -25.6 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.523 ' HG2' HD12 ' B' ' 550' ' ' LEU . 2.7 mt-30 -48.28 -42.07 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' B' ' 586' ' ' LEU . 6.3 ttpp -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -64.1 -36.78 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.7 mtp -63.73 -60.75 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.47 HD23 HD12 ' B' ' 545' ' ' LEU . 72.6 mt -52.82 -47.5 67.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.2 93.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -44.98 96.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -31.3 58.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.721 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -76.14 -21.54 56.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -54.83 -58.16 15.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.73 -33.32 16.93 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.4 mt -58.26 -55.52 33.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.9 -19.94 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -57.64 -23.28 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.68 -11.75 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 6.3 mtm -114.18 -58.1 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.499 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.8 m-70 -128.86 73.54 81.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.64 37.47 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.557 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.8 m -58.4 -43.79 88.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -137.73 38.54 2.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -48.82 -50.76 32.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.49 93.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -54.97 -60.62 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.5 pt -60.88 -32.56 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.587 ' O ' HD23 ' B' ' 586' ' ' LEU . 16.7 m -66.43 -32.2 73.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.29 -53.19 34.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 5.0 ptm -67.45 -42.48 83.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.841 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -57.35 -60.0 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -62.98 -21.97 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -75.89 -19.31 58.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.61 -61.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.67 127.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.73 -27.29 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.1 t -62.61 -48.76 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.49 -43.93 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.744 HD23 ' HE2' ' B' ' 596' ' ' MET . 17.5 mt -54.02 -45.75 71.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.25 -32.76 17.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.95 -27.29 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.744 ' HE2' HD23 ' B' ' 593' ' ' LEU . 18.7 mtp -71.47 -21.93 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' B' ' 545' ' ' LEU . 15.7 mt -48.65 -50.75 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -97.5 20.35 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.8 t -114.0 79.64 4.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.629 0.728 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.92 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -92.51 -16.48 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.1 m -105.78 -44.47 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 26.8 tp -50.24 -52.28 37.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.91 -54.54 28.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.89 -45.12 64.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -55.47 33.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.47 -54.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.67 -43.56 89.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.85 -46.39 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.453 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.23 -57.94 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.499 HG21 ' NE2' ' B' ' 574' ' ' HIS . 86.7 t -49.8 -34.91 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.84 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -55.07 -25.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.878 HD23 HG21 ' A' ' 80' ' ' VAL . 1.4 tm? -72.61 -55.11 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.459 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.9 mt-30 -51.95 -30.12 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.56 79.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -58.11 -71.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -102.39 142.91 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -173.17 153.87 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -24.98 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.48 88.49 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -114.12 140.42 48.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 60.12 73.72 0.62 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.89 13.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -121.01 -42.03 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t 68.56 65.7 0.56 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.99 13.48 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.744 2.296 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -105.45 100.21 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.66 -25.33 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -76.17 60.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.74 -169.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -164.95 166.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.38 111.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -52.05 -29.52 21.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -90.54 133.29 33.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.84 114.1 3.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.3 t -119.42 75.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.662 ' CE1' HD23 ' A' ' 90' ' ' LEU . 38.4 p90 -73.59 -30.71 63.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.662 HD23 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -101.58 133.44 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 178.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.28 -169.12 11.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.14 66.29 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.292 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.874 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -114.54 87.68 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.24 160.82 39.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -178.46 2.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.722 2.282 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.672 HD22 ' HG3' ' B' ' 565' ' ' ARG . 7.1 mp -109.88 172.34 6.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 34.0 p -152.05 151.19 30.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.6 -47.19 76.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 22.9 t -53.22 -28.73 28.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.4 ttp -81.37 -33.7 32.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' B' ' 561' ' ' MET . 4.2 mm? -64.57 -22.87 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.76 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 3.6 t -55.15 -27.53 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -95.68 160.7 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.79 167.98 22.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -13.68 35.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.49 -24.85 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -91.55 -24.01 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.87 -49.42 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.3 OUTLIER -51.89 -47.93 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.57 -39.0 86.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.432 ' HB2' HD11 ' B' ' 550' ' ' LEU . 4.9 mmm -61.87 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.35 -51.52 53.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . 0.428 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -62.79 -34.5 89.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.53 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.672 ' HG3' HD22 ' B' ' 545' ' ' LEU . 9.0 mmm180 -76.54 -34.14 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.7 mt -75.73 -19.9 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -55.82 -58.69 14.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.74 -32.6 18.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' LEU . 57.2 mt -58.72 -55.84 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.442 HG21 ' CD1' ' B' ' 581' ' ' ILE . 8.4 mt -75.36 -19.83 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.76 -24.25 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.32 -12.1 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.3 mtm -111.0 -58.47 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -133.18 73.89 73.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -16.03 37.49 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.554 ' HB ' HD12 ' B' ' 577' ' ' LEU . 37.0 m -56.74 -40.03 75.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.98 33.35 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.64 -51.56 27.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.42 -46.19 92.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -54.86 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.625 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.2 pt -61.08 -32.52 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.442 ' O ' HD23 ' B' ' 586' ' ' LEU . 20.0 m -66.39 -31.51 72.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.46 -54.36 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.5 ptm -66.32 -40.97 90.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.5 mm? -60.23 -56.47 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 559' ' ' LYS . 0.7 OUTLIER -58.87 -27.68 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -75.79 -19.39 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.0 mt -49.22 -61.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.14 123.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -67.93 -28.58 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.9 t -61.42 -41.18 96.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -84.14 -42.06 16.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.51 -46.9 70.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -36.2 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -86.71 -24.36 25.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.6 mtm -70.46 -28.31 64.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.18 -42.06 38.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -107.24 29.68 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.7 81.81 52.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 110.811 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.61 26.53 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.67 -23.95 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.9 t -106.39 -36.05 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 607' ' ' VAL . 50.8 tp -50.89 -63.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -32.72 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.8 t -61.59 -57.61 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.584 ' HB3' HD11 ' B' ' 585' ' ' LEU . 35.0 mttp -57.12 -45.85 83.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 603' ' ' LEU . 84.9 t -53.73 -54.77 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.16 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.99 -47.38 80.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.418 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -64.18 -56.58 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.4 t -50.56 -36.64 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.99 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.418 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -54.35 -25.58 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.2 tm? -73.4 -54.5 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.511 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.2 mt-30 -51.89 -31.22 27.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.16 -51.4 58.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -66.94 -49.71 64.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -132.78 125.67 30.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -124.56 93.88 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -170.09 129.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -118.97 151.26 38.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.57 125.31 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 155.69 2.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.696 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 158.1 58.22 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.68 -43.03 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t 67.95 65.52 0.62 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.88 40.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -101.15 97.68 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.11 -28.02 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -76.4 59.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.93 -169.16 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.7 165.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.08 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' HB2' HD21 ' B' ' 586' ' ' LEU . 16.0 p90 -51.19 132.91 28.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 85' ' ' PHE . 2.9 t -157.44 133.78 6.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 100.31 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -159.96 157.36 28.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -110.8 -176.17 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 90' ' ' LEU . 3.0 tp 63.73 37.37 10.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.42 169.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.97 -176.51 47.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.49 66.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.01 138.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -155.7 160.48 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -174.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.592 HD21 ' HD2' ' B' ' 565' ' ' ARG . 25.2 mt -131.84 160.04 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 13.3 p -149.33 143.39 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.464 ' HA ' HD22 ' B' ' 594' ' ' LEU . . . -54.26 -27.21 33.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 8.1 t -74.89 -35.05 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.9 ttt -81.91 -49.68 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.55 HD23 ' OE1' ' B' ' 558' ' ' GLN . 0.3 OUTLIER -59.73 -32.05 70.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.9 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 69.0 m -64.57 -26.32 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -90.4 160.42 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.77 167.9 23.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -14.47 36.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.647 2.231 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -89.61 -35.87 15.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -79.99 -25.01 40.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.55 ' OE1' HD23 ' B' ' 550' ' ' LEU . 10.2 mt-30 -57.86 -37.9 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -64.69 -62.56 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -51.97 -40.55 61.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 4.4 mmm -61.24 -54.19 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 593' ' ' LEU . 28.8 mt -54.31 -54.14 44.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.43 -46.03 95.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.56 -45.43 69.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.592 ' HD2' HD21 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.9 -28.3 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' B' ' 569' ' ' LEU . 13.6 mt -75.53 -21.49 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -57.09 -58.13 19.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.73 -30.53 22.27 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' B' ' 566' ' ' LEU . 47.3 mt -61.06 -58.59 7.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.489 HG21 HD11 ' B' ' 581' ' ' ILE . 7.1 mt -75.22 -19.08 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.78 -20.85 38.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -87.89 8.01 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.8 mtm -137.07 -59.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.634 ' CE1' HG21 ' B' ' 611' ' ' VAL . 43.1 m-70 -127.26 67.91 71.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.48 30.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.562 ' HB ' HD12 ' B' ' 577' ' ' LEU . 24.1 m -51.84 -41.36 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.562 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -140.1 34.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' B' ' 581' ' ' ILE . . . -49.27 -52.92 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.47 -41.25 88.18 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.98 -61.14 2.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.723 0.296 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.609 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.6 pt -59.7 -28.45 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.869 HG22 HD23 ' B' ' 586' ' ' LEU . 21.9 m -67.95 -44.71 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.49 87.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -46.86 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mm? -57.06 -55.39 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.869 HD23 HG22 ' B' ' 582' ' ' THR . 4.0 pp -63.52 -24.47 67.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.12 -19.4 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.417 ' CD1' HD13 ' B' ' 585' ' ' LEU . 78.8 mt -50.47 -62.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.83 129.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.24 -28.43 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 6.2 t -62.29 -52.82 62.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.5 -46.07 64.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.442 HD13 HD13 ' B' ' 562' ' ' LEU . 14.8 mt -52.59 -45.77 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' B' ' 547' ' ' ALA . 13.3 mt -49.79 -35.01 21.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -87.55 -28.05 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.2 mtm -68.3 -25.0 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' B' ' 545' ' ' LEU . 15.8 mt -49.15 -45.35 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -107.14 23.47 14.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.9 t -115.99 80.54 9.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -89.79 -18.11 26.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.5 m -106.8 -39.85 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.538 ' O ' HG23 ' B' ' 607' ' ' VAL . 59.3 tp -50.15 -48.35 53.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -53.89 -55.16 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.9 m -51.73 -48.22 63.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.67 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.0 OUTLIER -54.51 -57.76 10.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.7 t -51.06 -44.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.64 -39.05 91.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.44 -49.62 76.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -65.11 -57.81 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.634 HG21 ' CE1' ' B' ' 574' ' ' HIS . 91.8 t -51.48 -34.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.71 -34.51 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -59.27 -23.95 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.537 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.4 tm? -71.87 -52.9 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.438 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.3 mt-30 -55.76 -29.04 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -69.41 -23.84 63.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -109.84 142.56 40.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -146.67 122.54 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -110.47 -30.72 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -161.05 112.74 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.21 155.82 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -108.73 123.38 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 75' ' ' PRO . 0.0 OUTLIER 179.69 -60.84 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 53.4 Cg_endo -69.79 79.05 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -143.73 125.56 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.7 m -110.47 78.52 1.48 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.11 102.66 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.043 HG21 HD23 ' B' ' 614' ' ' LEU . 4.3 p -48.47 -30.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -80.2 57.0 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.09 104.5 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.42 165.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' CB ' HG22 ' A' ' 86' ' ' VAL . 31.7 mt-10 -51.64 150.57 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' B' ' 586' ' ' LEU . 9.9 p90 -70.36 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.492 HG22 ' CB ' ' A' ' 84' ' ' GLU . 8.8 m -50.36 155.1 1.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.46 68.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -153.77 62.28 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.607 ' HE1' HD13 ' A' ' 90' ' ' LEU . 38.9 p90 -70.08 -27.04 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.607 HD13 ' HE1' ' A' ' 89' ' ' PHE . 1.2 tp -109.2 176.94 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 170.5 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.64 -74.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.42 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 63.22 16.78 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -53.96 160.44 2.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -178.55 2.4 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.649 HD11 ' HG3' ' B' ' 565' ' ' ARG . 61.9 mt -112.58 155.2 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.466 HG23 ' O ' ' B' ' 545' ' ' LEU . 0.8 OUTLIER -159.55 148.99 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.97 -24.5 58.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.9 t -86.4 -30.32 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.7 ttt -79.55 -41.14 27.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.504 HD23 ' OE1' ' B' ' 558' ' ' GLN . 2.1 tp -68.25 -25.96 65.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -28.89 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.1 t -52.78 -29.14 25.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -101.94 160.34 26.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.7 168.32 21.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.38 34.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -90.53 -23.31 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.49 -22.4 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.504 ' OE1' HD23 ' B' ' 550' ' ' LEU . 10.8 mt-30 -48.48 -43.61 34.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -57.26 -43.73 83.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.01 -41.33 99.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.411 ' HB2' HD11 ' B' ' 550' ' ' LEU . 38.7 mtp -61.34 -60.19 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.47 -53.36 38.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.49 -41.41 98.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.07 -44.54 79.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.649 ' HG3' HD11 ' B' ' 545' ' ' LEU . 0.7 OUTLIER -75.77 -29.31 58.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' B' ' 569' ' ' LEU . 14.2 mt -75.82 -22.19 56.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.1 t80 -55.43 -57.97 17.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.4 Cg_endo -69.74 -30.91 21.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 566' ' ' LEU . 51.3 mt -60.66 -56.96 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.559 HG21 HD11 ' B' ' 581' ' ' ILE . 7.6 mt -75.17 -19.19 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.81 -20.96 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -89.19 9.93 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 33.0 mtm -137.64 -58.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -132.37 68.49 79.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 53.5 Cg_endo -69.8 -24.26 29.7 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.667 2.244 . . . . 0.0 112.363 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.483 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.8 m -51.35 -35.78 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.483 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.5 OUTLIER -142.54 29.26 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -49.67 -55.01 15.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -42.49 69.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.04 -61.45 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.559 HD11 HG21 ' B' ' 570' ' ' ILE . 4.5 pt -60.74 -23.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.418 HG22 HD23 ' B' ' 586' ' ' LEU . 18.8 m -70.46 -48.65 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.82 -42.2 78.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -52.73 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.74 -53.35 40.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.1 pp -64.89 -24.88 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -76.24 -19.29 58.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.97 -62.29 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.78 127.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -65.23 -27.84 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 5.8 t -61.02 -49.6 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -76.44 -45.34 31.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.488 HD23 ' HE2' ' B' ' 596' ' ' MET . 14.3 mt -51.58 -45.27 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 5.9 mt -50.13 -32.23 15.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -92.05 -25.91 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.488 ' HE2' HD23 ' B' ' 593' ' ' LEU . 7.1 mtm -70.14 -23.6 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.2 -42.11 29.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.62 21.84 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.28 85.06 15.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.671 0.748 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.27 -24.3 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -102.06 -37.34 8.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 607' ' ' VAL . 65.0 tp -50.57 -62.15 1.76 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -32.2 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -56.18 22.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.21 -44.07 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 603' ' ' LEU . 86.5 t -54.95 -57.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -56.36 -43.98 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.77 -50.63 63.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.433 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.69 -57.86 10.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.42 -31.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.7 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.433 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.69 -26.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 1.043 HD23 HG21 ' A' ' 80' ' ' VAL . 2.2 tm? -74.98 -42.36 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -55.41 -29.02 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -70.52 -24.46 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -54.37 -27.49 36.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -65.48 -29.79 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -51.55 166.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -128.33 -175.93 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -137.2 -176.84 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -90.02 87.48 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.344 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -129.28 72.7 81.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.15 27.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.56 144.97 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.46 73.77 2.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.668 0.747 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -106.01 97.12 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.18 -25.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -74.6 -5.07 40.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.8 168.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.75 166.54 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.71 158.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.48 -28.92 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.427 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -80.23 133.31 57.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.6 Cg_endo -69.8 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.7 p -91.93 159.77 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 90' ' ' LEU . 1.3 p90 -136.31 25.31 3.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 89' ' ' PHE . 1.7 mt -147.46 131.86 17.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -26.85 34.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.07 70.36 1.05 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -89.69 134.94 33.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -83.3 137.42 42.45 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.638 0.732 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -178.16 2.22 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.4 mt -99.0 154.39 18.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 79.7 p -150.54 171.48 17.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.12 -31.35 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.3 m -62.62 -53.86 48.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 34.3 ttm -66.26 -48.73 69.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' B' ' 558' ' ' GLN . 4.1 mm? -57.73 -23.19 50.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -87.46 -44.2 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.9 m -52.11 -30.17 25.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -100.02 160.41 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.503 0.668 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.3 Cg_endo -69.68 167.85 23.14 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.395 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -97.06 -36.87 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -75.18 -25.86 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.42 ' HG2' HD13 ' B' ' 550' ' ' LEU . 16.8 mt-30 -51.68 -46.99 64.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -52.81 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -57.54 -37.06 72.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 9.4 mtm -62.74 -60.27 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.431 HD22 HD21 ' B' ' 597' ' ' LEU . 78.0 mt -51.56 -50.28 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.54 90.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -46.41 90.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -30.16 59.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.0 mt -75.85 -24.33 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.54 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.32 -57.88 13.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.73 -33.45 16.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 566' ' ' LEU . 49.7 mt -57.76 -55.7 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.1 mt -75.8 -20.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -57.61 -22.6 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.05 -4.35 43.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.4 mtm -125.27 -57.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.565 ' NE2' HG21 ' B' ' 611' ' ' VAL . 96.0 m-70 -124.57 69.39 53.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -21.79 32.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.549 ' HB ' HD12 ' B' ' 577' ' ' LEU . 38.0 m -56.58 -37.05 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -142.22 35.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.1 22.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.58 -43.61 94.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -60.82 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.632 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.38 -31.84 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.441 ' O ' HD23 ' B' ' 586' ' ' LEU . 24.3 m -67.81 -31.73 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.69 39.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 2.8 ptm -68.17 -44.93 74.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.4 mm? -55.25 -47.91 74.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.456 ' O ' HD12 ' B' ' 586' ' ' LEU . 0.6 OUTLIER -70.49 -20.71 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -20.06 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.583 HD11 HD13 ' B' ' 585' ' ' LEU . 84.1 mt -48.22 -61.83 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.66 127.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.41 -28.2 68.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 22.4 t -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -74.91 -46.91 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 14.2 mt -51.8 -44.15 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 594' ' ' LEU . 7.6 tt -49.44 -36.47 22.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -88.32 -26.29 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 46.1 mtp -69.21 -24.3 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.431 HD21 HD22 ' B' ' 562' ' ' LEU . 16.4 mt -48.8 -54.99 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -95.17 21.38 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.3 t -113.19 81.83 5.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -92.88 -18.41 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 9.2 t -103.76 -40.16 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 33.2 tp -50.29 -48.99 54.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -54.86 -46.87 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.7 m -58.59 -44.89 89.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -58.22 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.519 ' O ' HG23 ' B' ' 611' ' ' VAL . 61.7 t -51.37 -49.89 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.01 -43.41 98.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -53.45 -51.17 63.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.7 -55.88 22.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.565 HG21 ' NE2' ' B' ' 574' ' ' HIS . 98.8 t -50.08 -32.84 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.36 -38.36 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -55.24 -25.2 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.182 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.522 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.4 tm? -70.16 -52.85 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.429 ' N ' HD13 ' B' ' 614' ' ' LEU . 10.7 mt-30 -53.5 -28.45 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.88 -34.72 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -172.82 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -149.88 122.18 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -162.27 172.86 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 147.73 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -120.76 -52.42 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -114.98 -45.17 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.858 0.361 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -166.87 69.54 1.02 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 113.42 3.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.65 145.64 54.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p -112.53 76.55 2.07 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.558 0.694 . . . . 0.0 111.122 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 164.71 33.62 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -102.63 99.42 9.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.777 HG21 HD23 ' B' ' 614' ' ' LEU . 3.5 p -51.44 -28.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.28 66.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.95 -168.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -166.09 174.75 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 121.59 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -60.96 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.57 ' O ' HG22 ' A' ' 86' ' ' VAL . 5.2 p 37.91 67.06 2.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 87.04 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.2 t -81.32 -26.42 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.641 ' CE1' HD12 ' A' ' 90' ' ' LEU . 40.8 p90 -119.8 162.05 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.5 mt 58.73 72.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.39 164.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.47 67.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.4 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.116 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.36 159.94 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -163.89 137.42 4.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.432 HD12 ' O ' ' B' ' 545' ' ' LEU . 0.3 OUTLIER -99.65 160.84 14.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 72.1 p -150.23 -175.29 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.89 -44.69 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.1 m -53.6 -28.67 33.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.2 ttt -93.07 -37.81 11.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.9 -20.85 65.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.56 7.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.7 p -120.48 -33.5 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -96.71 160.56 29.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.77 167.82 23.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.608 2.205 . . . . 0.0 112.375 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -15.07 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -85.54 -25.2 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.98 -46.05 64.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -55.04 -53.36 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -57.6 -37.19 72.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 3.9 mtm -61.73 -60.07 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.424 HD22 HD21 ' B' ' 597' ' ' LEU . 89.0 mt -51.89 -49.36 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.61 99.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -57.36 -45.93 83.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.5 -28.72 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.728 ' HA ' HD12 ' B' ' 569' ' ' LEU . 17.3 mt -75.79 -23.77 55.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -53.53 -57.91 15.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.1 Cg_endo -69.77 -32.91 17.63 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' B' ' 566' ' ' LEU . 44.8 mt -58.23 -55.99 27.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.427 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.4 mt -75.44 -20.33 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -57.61 -23.21 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.1 -4.27 43.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 10.8 mtm -125.49 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -125.02 69.41 58.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -14.37 36.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.534 ' HB ' HD12 ' B' ' 577' ' ' LEU . 59.5 m -61.08 -41.02 95.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.534 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.3 OUTLIER -140.01 36.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.11 -51.36 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.04 96.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -54.43 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.621 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.8 pt -60.86 -31.69 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.47 ' O ' HD23 ' B' ' 586' ' ' LEU . 21.1 m -67.12 -32.07 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.43 32.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.8 ptm -66.91 -41.19 87.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.333 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.3 mm? -58.66 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 582' ' ' THR . 0.8 OUTLIER -61.35 -25.97 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -75.77 -19.36 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' B' ' 585' ' ' LEU . 77.9 mt -49.66 -62.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.39 126.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.18 -27.7 68.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 42.2 m -60.49 -48.51 81.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -76.45 -45.06 32.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 17.4 mt -51.67 -43.86 62.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 594' ' ' LEU . 0.4 OUTLIER -49.05 -38.25 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -86.48 -26.65 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 72.9 mtp -63.65 -33.64 76.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.424 HD21 HD22 ' B' ' 562' ' ' LEU . 18.9 mt -49.93 -49.81 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -95.17 21.99 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.3 t -122.85 80.29 49.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.663 0.744 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.65 24.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -90.65 -22.89 20.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -100.56 -34.04 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 43.0 tp -50.19 -62.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -33.27 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 m -62.06 -54.97 33.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.625 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.2 OUTLIER -58.19 -45.76 87.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.39 -55.79 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -56.99 -41.18 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.41 -48.71 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.72 -59.34 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.13 -34.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.67 59.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.23 -25.94 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.777 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -73.29 -54.64 7.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.481 ' N ' HD13 ' B' ' 614' ' ' LEU . 9.5 mt-30 -51.66 -36.56 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.49 -33.92 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -171.88 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -150.89 -51.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -69.05 161.33 29.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -126.85 141.4 51.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 52.47 31.48 9.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.24 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 70.83 68.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.48 35.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.377 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.5 t80 -125.4 -44.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' PHE . 4.9 m 35.1 70.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.733 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -129.14 103.05 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.042 HG21 HD23 ' B' ' 614' ' ' LEU . 4.1 p -49.12 -28.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' HE2' ' CE1' ' B' ' 617' ' ' HIS . 25.3 m80 -76.94 58.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' SD ' ' B' ' 584' ' ' MET . . . -125.83 100.97 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.82 175.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -51.35 140.86 16.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' B' ' 586' ' ' LEU . 7.7 p90 -62.83 134.32 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.1 p -179.08 132.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -75.04 101.53 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 90' ' ' LEU . 31.7 p90 -105.37 -23.38 12.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -120.7 -177.4 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -26.13 57.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.35 -72.65 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 161.86 44.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -52.57 163.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 160.53 80.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.54 1.91 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' B' ' 565' ' ' ARG . 18.6 mt -112.72 158.28 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 68.3 p -141.71 163.48 32.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.03 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.7 t -61.2 -33.13 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.0 ttt -90.53 -42.01 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.02 -25.9 68.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -77.27 -42.3 37.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 m -53.94 -28.05 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -96.52 160.45 29.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.536 0.684 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.7 167.8 23.31 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.2 37.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.47 -25.31 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.51 -29.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -52.14 -42.66 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -58.87 -59.63 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -52.01 -44.06 63.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 5.0 mmm -56.78 -54.66 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.03 -53.08 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -60.06 -46.25 94.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -45.63 70.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.68 ' HD2' HD21 ' B' ' 545' ' ' LEU . 1.0 OUTLIER -75.15 -26.63 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.88 -24.2 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -54.51 -57.99 16.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.02 -58.29 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 581' ' ' ILE . 7.0 mt -75.61 -18.97 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 6.5 tt0 -57.58 -20.75 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.88 7.17 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 18.8 mtm -137.84 -59.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' B' ' 611' ' ' VAL . 49.9 m-70 -123.74 66.94 39.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -18.62 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.572 ' HB ' HD12 ' B' ' 577' ' ' LEU . 14.1 m -56.88 -43.54 81.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.572 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.48 35.68 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.63 -53.27 25.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.77 -43.53 86.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.73 -60.94 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.607 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.9 pt -61.15 -24.73 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.45 HG22 HD23 ' B' ' 586' ' ' LEU . 12.0 m -68.07 -47.1 69.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -56.74 -45.63 90.7 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -68.3 -49.12 62.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.33 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' B' ' 588' ' ' ILE . 3.2 mm? -55.99 -58.37 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.2 pp -58.42 -26.66 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -76.13 -19.41 58.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.653 ' CD1' HD13 ' B' ' 585' ' ' LEU . 88.6 mt -49.96 -62.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.63 128.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.99 -30.98 72.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 10.7 t -64.4 -49.26 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.48 -48.1 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.593 HD23 ' SD ' ' B' ' 596' ' ' MET . 10.2 mt -53.1 -49.67 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -29.11 17.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -87.97 -29.74 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.593 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.4 ptm -71.54 -23.65 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.9 mt -48.07 -42.16 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -109.35 21.82 16.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.4 t -120.47 82.25 32.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.694 0.759 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -8.24 23.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -86.3 -22.53 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 7.8 t -105.73 -33.34 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 607' ' ' VAL . 43.8 tp -50.55 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -32.43 38.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.9 t -61.07 -58.45 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' B' ' 585' ' ' LEU . 19.8 mmtp -57.62 -45.9 84.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 603' ' ' LEU . 67.2 t -52.84 -54.9 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.41 -41.62 85.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.11 -50.97 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.45 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.03 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.415 HG21 ' CE1' ' B' ' 574' ' ' HIS . 99.5 t -50.68 -30.31 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.08 -36.74 58.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.45 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -54.1 -27.3 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 1.042 HD23 HG21 ' A' ' 80' ' ' VAL . 2.5 tm? -75.02 -38.07 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.01 -23.92 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -95.55 21.95 7.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.404 ' CE1' ' HE2' ' A' ' 81' ' ' HIS . 12.9 t-160 -102.89 136.63 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -105.66 116.85 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -171.55 154.11 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -108.01 -24.92 11.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.49 95.66 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.73 143.34 49.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.831 0.348 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -155.95 68.3 4.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.507 0.67 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 131.66 21.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -99.22 145.03 27.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p -112.33 76.62 1.98 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.34 11.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 103.84 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.639 HG21 HD23 ' B' ' 614' ' ' LEU . 2.4 p -51.3 -26.61 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -76.58 59.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.97 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 156.88 38.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -51.13 131.97 27.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.26 -29.6 69.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 75.4 t -49.95 108.37 0.99 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 86' ' ' VAL . 53.3 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -57.62 176.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -128.41 9.08 6.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.04 -178.83 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.64 -177.71 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.93 69.92 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.26 17.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -109.07 99.11 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -130.28 137.41 30.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.75 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.721 HD13 ' CD ' ' B' ' 565' ' ' ARG . 9.5 mp -121.04 138.61 54.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 25.0 p -133.37 148.86 51.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.546 ' HA ' HD11 ' B' ' 594' ' ' LEU . . . -53.43 -48.36 68.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.3 m -52.77 -35.9 57.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 3.1 ttt -79.15 -52.84 7.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.97 -37.87 54.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.45 98.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 31.4 m -55.36 -26.35 40.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -94.3 160.51 31.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.6 Cg_endo -69.8 167.88 23.22 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -11.11 30.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -94.43 -25.77 16.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.04 -40.84 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.1 -27.59 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -64.65 -66.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.73 -35.92 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -60.06 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 566' ' ' LEU . 79.7 mt -51.24 -51.11 57.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -64.65 -33.63 87.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.77 -48.27 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.721 ' CD ' HD13 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -75.63 -29.23 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.415 HD12 ' O ' ' B' ' 562' ' ' LEU . 17.7 mt -75.93 -24.44 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.8 t80 -52.62 -57.89 14.05 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.653 0.739 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -34.09 15.25 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 25.9 mt -56.65 -54.89 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.0 mt -75.73 -19.14 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.39 -24.8 47.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.79 -17.35 57.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 5.5 mtm -105.1 -58.72 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.689 ' CD2' HG21 ' B' ' 611' ' ' VAL . 75.7 m-70 -132.65 76.46 71.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.744 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.04 32.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.565 ' HB ' HD12 ' B' ' 577' ' ' LEU . 11.9 m -51.6 -44.56 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.565 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -137.53 36.51 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.69 -51.66 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.18 92.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -55.05 -61.03 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.623 ' O ' HD23 ' B' ' 585' ' ' LEU . 3.3 pt -60.95 -32.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.488 ' O ' HD23 ' B' ' 586' ' ' LEU . 19.5 m -67.1 -30.69 70.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.48 30.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 3.2 ptm -67.79 -42.58 81.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.701 HD13 HD11 ' B' ' 588' ' ' ILE . 3.4 mm? -57.7 -53.41 58.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.7 OUTLIER -64.7 -23.56 67.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.49 -19.44 58.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.701 HD11 HD13 ' B' ' 585' ' ' LEU . 92.0 mt -49.01 -61.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.35 121.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -59.25 -34.11 71.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 4.0 m -63.99 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -72.19 -50.09 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.645 HD23 ' SD ' ' B' ' 596' ' ' MET . 7.3 mt -51.62 -50.25 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.546 HD11 ' HA ' ' B' ' 547' ' ' ALA . 5.2 tt -51.06 -25.56 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.92 -32.64 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.645 ' SD ' HD23 ' B' ' 593' ' ' LEU . 1.9 ptt? -73.44 -17.98 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.12 -51.7 50.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.42 13.12 18.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 5.1 t -110.03 83.72 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -90.61 -24.55 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.8 m -101.86 -37.87 8.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.638 HD12 ' CE ' ' B' ' 596' ' ' MET . 3.8 tp -49.69 -62.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -32.95 32.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 t -62.04 -56.64 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.571 ' HB3' HD11 ' B' ' 585' ' ' LEU . 1.1 mptp? -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.68 -56.28 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.97 -40.12 75.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -56.79 -48.66 77.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.403 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.82 -58.48 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' B' ' 574' ' ' HIS . 84.7 t -50.61 -35.02 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -76.04 -36.01 59.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.403 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.92 -26.41 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.639 HD23 HG21 ' A' ' 80' ' ' VAL . 1.3 tm? -73.34 -46.86 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -55.56 -25.64 39.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -82.54 -24.27 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -86.68 136.23 33.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -114.01 128.44 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -157.88 137.1 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 103.94 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -91.19 -58.32 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -84.57 102.04 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.832 0.348 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 75' ' ' PRO . 1.6 mptm? -62.36 -60.42 10.09 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.544 0.688 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 54.1 Cg_endo -69.74 134.47 28.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -69.38 145.3 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 77' ' ' VAL . 4.3 p -112.36 76.82 2.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 159.17 54.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -96.98 98.45 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.68 -26.1 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -76.49 59.45 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.14 -169.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.63 167.67 28.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' HB2' HG22 ' A' ' 86' ' ' VAL . 16.4 pt-20 -51.53 122.68 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.5 p90 -62.35 -29.8 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 84' ' ' GLU . 5.3 m -56.56 155.53 13.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -116.67 134.83 54.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.696 ' CE1' HD23 ' A' ' 90' ' ' LEU . 36.3 p90 -106.07 -32.47 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.696 HD23 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -101.11 130.67 47.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 167.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -169.12 173.34 43.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.88 37.62 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.86 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -122.51 128.85 51.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.915 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -73.44 160.55 82.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.45 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.538 HD13 ' HD3' ' B' ' 565' ' ' ARG . 6.3 mp -113.61 152.29 30.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.6 p -150.73 177.71 9.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.773 ' HB2' HD21 ' B' ' 594' ' ' LEU . . . -74.15 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.4 m -54.05 -29.02 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 11.3 ttt -79.91 -35.58 37.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.651 HD23 ' OE1' ' B' ' 558' ' ' GLN . 0.7 OUTLIER -54.33 -35.27 62.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.21 -23.66 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 48.4 t -62.44 -25.45 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -107.1 160.35 26.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.72 167.76 23.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -10.91 29.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -92.59 -24.27 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -19.17 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.651 ' OE1' HD23 ' B' ' 550' ' ' LEU . 17.1 mt-30 -51.48 -53.13 40.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.403 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.4 OUTLIER -51.77 -48.23 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -61.5 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' B' ' 553' ' ' ALA . 3.1 mtm -61.98 -60.32 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.93 -48.52 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.08 99.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.49 -44.06 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.538 ' HD3' HD13 ' B' ' 545' ' ' LEU . 0.1 OUTLIER -75.33 -29.14 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 569' ' ' LEU . 16.3 mt -75.59 -24.41 56.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.531 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.92 -57.87 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.83 -32.23 18.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.682 2.254 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 566' ' ' LEU . 40.3 mt -59.21 -57.94 10.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 HD11 ' B' ' 581' ' ' ILE . 7.7 mt -75.17 -19.29 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -58.12 -20.26 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.62 3.61 43.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 16.9 mtm -133.54 -59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -123.96 68.08 44.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.97 31.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.517 ' HB ' HD12 ' B' ' 577' ' ' LEU . 50.1 m -52.25 -42.52 63.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.517 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.9 34.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.18 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.22 91.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -53.56 -60.67 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.629 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.0 pt -61.25 -32.83 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 16.9 m -65.34 -31.59 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.26 -54.81 21.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 4.0 ptm -65.79 -40.18 91.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.2 mm? -58.98 -57.43 13.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -60.65 -24.98 65.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -76.32 -19.39 58.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' B' ' 585' ' ' LEU . 96.8 mt -49.63 -62.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.8 126.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.59 -27.37 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 19.4 t -62.55 -49.48 75.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.55 -47.12 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.565 HD23 ' SD ' ' B' ' 596' ' ' MET . 11.3 mt -51.6 -50.3 60.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' B' ' 547' ' ' ALA . 7.2 tt -51.29 -28.88 13.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -86.92 -31.72 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.565 ' SD ' HD23 ' B' ' 593' ' ' LEU . 2.2 ptm -69.44 -24.85 63.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.7 mt -48.45 -50.39 31.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -100.87 26.13 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 83.9 64.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -86.25 -23.17 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.0 t -103.27 -33.48 9.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.04 -62.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -32.38 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -54.49 40.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' B' ' 585' ' ' LEU . 26.7 mmtp -59.05 -46.8 87.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 90.2 t -54.24 -55.68 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.75 -39.86 78.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.82 -47.64 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.82 -52.03 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.66 -36.91 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.05 68.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -26.85 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.561 HD13 ' N ' ' B' ' 615' ' ' GLN . 1.2 tm? -76.46 -59.92 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.561 ' N ' HD13 ' B' ' 614' ' ' LEU . 0.6 OUTLIER -64.65 -15.15 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -87.47 -29.13 21.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -154.3 118.46 4.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -173.66 -177.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 52.21 34.6 14.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.57 112.5 2.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -60.49 -64.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -155.19 157.5 31.81 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 109.73 2.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.71 -42.34 82.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 t 68.27 65.39 0.59 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.04 3.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.64 96.63 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HD23 ' B' ' 614' ' ' LEU . 13.3 p -55.32 156.43 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.62 ' ND1' HG13 ' A' ' 80' ' ' VAL . 20.0 m80 67.57 48.18 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.67 134.55 33.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.06 138.62 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.42 125.08 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.731 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 -53.16 -29.21 30.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 87' ' ' PRO . 58.3 t -61.07 133.28 92.59 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 86' ' ' VAL . 54.2 Cg_endo -69.71 149.54 67.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.274 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.2 p -120.05 167.47 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -143.28 30.48 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mt -144.93 150.34 36.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -26.8 34.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.79 174.94 21.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.57 179.77 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -138.89 155.19 73.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.721 HD11 ' HG3' ' B' ' 565' ' ' ARG . 4.1 mm? -94.06 125.41 38.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.408 HG23 ' O ' ' B' ' 545' ' ' LEU . 1.9 p -155.54 151.66 27.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.95 -18.71 47.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -19.71 60.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.536 ' HG3' HD23 ' B' ' 550' ' ' LEU . 0.8 OUTLIER -90.36 -32.02 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' B' ' 558' ' ' GLN . 14.5 mt -92.62 -15.14 27.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . 51.8 41.28 29.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 9.7 m 63.47 31.35 14.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -53.03 160.73 1.43 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.097 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.2 Cg_endo -69.71 168.28 21.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -8.54 23.88 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.721 2.28 . . . . 0.0 112.299 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -85.79 -24.37 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.87 -46.81 4.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.548 ' HG2' HD13 ' B' ' 550' ' ' LEU . 30.2 mt-30 -58.79 -21.03 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.459 ' HG3' HD11 ' B' ' 586' ' ' LEU . 15.2 tttp -65.25 -59.72 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.43 -39.18 82.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.437 ' CE ' HD22 ' B' ' 550' ' ' LEU . 0.0 OUTLIER -60.94 -60.9 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 39.2 mt -53.34 -53.8 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.12 -47.77 84.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -54.92 -41.23 70.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.721 ' HG3' HD11 ' B' ' 545' ' ' LEU . 4.7 mmp_? -75.84 -30.0 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.73 -23.06 56.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.532 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.98 -58.1 14.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.75 -32.31 18.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 33.4 mt -59.74 -58.9 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 581' ' ' ILE . 7.4 mt -75.39 -18.62 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.42 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 0.6 OUTLIER -56.52 -23.12 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -83.42 -16.41 45.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 4.8 mtm -104.7 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.403 ' CE1' HG21 ' B' ' 611' ' ' VAL . 57.0 m80 -132.42 76.22 72.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -20.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.582 ' HB ' HD12 ' B' ' 577' ' ' LEU . 25.3 m -52.88 -44.34 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.33 36.0 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.95 -51.44 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -58.74 -45.77 94.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -60.95 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.628 ' O ' HD23 ' B' ' 585' ' ' LEU . 2.9 pt -60.71 -34.38 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.573 ' O ' HD23 ' B' ' 586' ' ' LEU . 23.5 m -65.47 -30.33 71.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.02 -54.39 24.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -39.24 83.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 581' ' ' ILE . 3.3 mm? -59.56 -60.21 4.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.3 pp -60.71 -23.75 65.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -76.09 -19.32 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.515 HD13 ' NZ ' ' B' ' 606' ' ' LYS . 86.5 mt -49.56 -61.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.14 126.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -66.19 -29.38 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 3.3 t -62.06 -46.71 87.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.22 -41.69 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.64 -46.04 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.05 29.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -86.62 -25.17 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 63.5 mtp -66.33 -33.1 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' B' ' 545' ' ' LEU . 16.6 mt -50.45 -46.84 56.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.12 23.17 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.99 81.07 70.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.42 23.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -89.55 -15.37 33.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.3 t -108.83 -39.0 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 607' ' ' VAL . 51.0 tp -51.05 -49.58 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -55.8 -46.22 78.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -57.2 -49.45 75.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' B' ' 585' ' ' LEU . 22.1 mmtp -56.2 -59.1 5.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 603' ' ' LEU . 38.2 t -51.11 -51.72 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -43.8 87.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.4 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -62.42 -58.12 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.403 HG21 ' CE1' ' B' ' 574' ' ' HIS . 89.4 t -51.9 -34.0 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.94 -38.38 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.4 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.3 OUTLIER -53.4 -26.81 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.758 HD23 HG21 ' A' ' 80' ' ' VAL . 2.3 tm? -76.3 -34.85 59.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -51.63 -28.62 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.48 -36.27 60.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.618 ' HB3' HD22 ' B' ' 614' ' ' LEU . 8.6 t-80 -64.95 -67.93 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -148.67 117.19 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -156.22 137.84 14.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -80.12 123.9 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -150.4 143.33 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -70.16 -60.7 2.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 69.1 8.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 77' ' ' VAL . 53.3 Cg_endo -69.75 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' C ' HG23 ' A' ' 77' ' ' VAL . 4.1 t80 -64.96 -38.42 90.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 75' ' ' PRO . 2.8 t 67.46 63.91 0.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.166 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 163.75 37.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -100.31 100.62 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 p -51.02 -28.43 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.62 79.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.89 100.76 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.53 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -156.64 155.76 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.701 ' HB2' HD21 ' B' ' 586' ' ' LEU . 5.3 p90 -80.78 -27.19 36.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG23 ' HD2' ' A' ' 87' ' ' PRO . 7.3 p -106.52 133.22 20.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.713 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.2 Cg_endo -69.76 162.05 43.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -115.85 173.79 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' A' ' 90' ' ' LEU . 15.4 p90 -132.22 -175.89 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 89' ' ' PHE . 9.0 mt 57.62 58.21 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.09 171.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.78 39.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 171.57 14.27 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.09 120.17 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -143.72 160.47 50.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' B' ' 565' ' ' ARG . 7.3 mt -117.88 160.05 22.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 36.5 p -145.0 157.39 44.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.71 -36.67 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.5 t -52.38 -29.79 25.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 34.4 ttm -89.32 -46.53 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.33 23.49 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 42.1 t -133.17 -40.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -78.59 160.68 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 111.055 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.74 168.52 21.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -10.09 27.67 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -95.32 -33.85 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -78.63 -37.55 41.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.45 -51.21 48.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -52.17 54.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -60.3 -35.77 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 1.1 mtm -63.61 -60.29 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.416 ' O ' HD12 ' B' ' 566' ' ' LEU . 51.8 mt -52.69 -48.59 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.73 -34.05 87.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.52 -46.87 86.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.543 ' HD2' HD21 ' B' ' 545' ' ' LEU . 0.1 OUTLIER -75.66 -30.49 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.73 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.6 mt -75.81 -24.62 55.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.536 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -51.68 -58.08 12.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.703 0.763 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.72 -34.39 14.8 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' B' ' 566' ' ' LEU . 50.4 mt -55.78 -56.36 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 7.7 mt -75.64 -21.6 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.82 -23.24 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.04 -6.05 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 12.6 mtm -122.72 -57.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.506 ' CE1' HG21 ' B' ' 611' ' ' VAL . 55.6 m-70 -126.02 70.49 67.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -9.37 25.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.58 ' HB ' HD12 ' B' ' 577' ' ' LEU . 31.5 m -66.73 -41.74 87.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -139.89 35.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.59 -53.02 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -56.29 -46.38 86.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.92 -60.64 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.631 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.6 pt -62.47 -25.5 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.447 ' O ' HD23 ' B' ' 586' ' ' LEU . 15.5 m -71.5 -33.46 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.92 58.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -40.06 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.7 mm? -60.92 -57.62 11.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -63.31 -22.85 67.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -76.15 -19.51 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 87.9 mt -49.85 -62.31 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.82 128.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.88 -28.79 69.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 28.8 t -60.85 -50.18 74.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 18.0 mt -52.0 -44.05 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 1.9 mt -49.34 -35.54 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -89.4 -26.5 20.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 47.8 mtp -69.27 -24.05 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.91 -54.92 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.65 22.59 6.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 2.2 t -113.65 79.05 4.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -91.32 -18.21 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 m -104.52 -43.58 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 607' ' ' VAL . 42.9 tp -50.44 -48.92 56.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -52.11 -57.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.4 m -51.3 -50.13 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.435 ' HB3' HD11 ' B' ' 585' ' ' LEU . 0.1 OUTLIER -51.29 -52.97 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 603' ' ' LEU . 28.2 t -54.29 -54.08 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.43 -40.33 78.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.48 -51.23 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 613' ' ' VAL . . . -61.1 -57.55 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.506 HG21 ' CE1' ' B' ' 574' ' ' HIS . 94.1 t -50.46 -36.14 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.0 60.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.428 HG12 ' O ' ' B' ' 610' ' ' ALA . 0.4 OUTLIER -55.81 -24.65 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.548 HD22 ' O ' ' B' ' 614' ' ' LEU . 1.2 tm? -73.22 -55.14 6.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.506 ' N ' HD13 ' B' ' 614' ' ' LEU . 5.8 mt-30 -56.85 -27.44 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.86 -23.54 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -103.59 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.8 149.02 21.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' B' ' 622' ' ' ALA . . . -166.18 163.58 17.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -112.93 99.39 7.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 58.9 32.52 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . 0.53 ' HB3' ' HB1' ' B' ' 619' ' ' ALA . . . -122.71 106.63 11.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.86 160.45 63.63 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.592 0.71 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -146.6 143.54 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.0 m -112.69 75.86 1.97 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 131.08 20.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -80.97 101.05 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' ND1' ' A' ' 81' ' ' HIS . 7.1 p -60.3 156.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.609 ' ND1' HG13 ' A' ' 80' ' ' VAL . 21.5 m80 68.9 28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.29 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.14 138.35 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.427 ' HB2' HG22 ' A' ' 86' ' ' VAL . 10.9 pt-20 -50.95 137.54 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HD21 ' B' ' 586' ' ' LEU . 2.7 p90 -54.78 -27.71 43.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 85' ' ' PHE . 15.5 m -75.4 154.33 85.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.38 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.384 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 p -51.84 120.46 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -116.29 -24.38 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.24 52.13 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -157.37 172.53 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -52.16 165.44 1.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.63 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -88.79 99.59 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.4 160.73 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -176.92 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.659 2.24 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.589 HD13 ' HD3' ' B' ' 565' ' ' ARG . 7.6 mp -106.39 138.85 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.456 ' O ' HD23 ' B' ' 550' ' ' LEU . 40.8 p -151.63 -179.75 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.465 ' HB2' HD21 ' B' ' 594' ' ' LEU . . . -55.33 -37.51 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.6 t -52.53 -48.78 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.2 ttt -79.83 -36.74 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.456 HD23 ' O ' ' B' ' 546' ' ' THR . 3.7 mm? -62.28 -23.86 66.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -93.61 19.12 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 28.9 t -117.08 -27.21 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -103.54 160.49 25.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.72 167.76 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.29 37.61 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -80.65 -25.88 38.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -102.94 -23.41 13.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.45 ' OE1' HD12 ' B' ' 550' ' ' LEU . 2.6 mt-30 -51.77 -50.62 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -51.81 -47.7 64.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.59 -38.17 83.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 6.2 mtm -63.35 -59.97 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.429 ' O ' HD12 ' B' ' 566' ' ' LEU . 90.2 mt -51.64 -50.23 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -65.52 -32.76 84.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.17 -48.32 80.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.589 ' HD3' HD13 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.87 -29.71 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.687 ' HA ' HD12 ' B' ' 569' ' ' LEU . 18.4 mt -75.66 -24.57 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.53 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -52.37 -58.06 13.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.81 -32.9 17.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 566' ' ' LEU . 48.1 mt -57.32 -56.57 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.433 HG21 ' CD1' ' B' ' 581' ' ' ILE . 7.8 mt -75.25 -20.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -58.07 -23.41 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.58 -2.95 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.07 -56.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.664 ' CE1' HG21 ' B' ' 611' ' ' VAL . 37.1 m80 -126.98 69.11 72.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -13.02 34.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.573 ' HB ' HD12 ' B' ' 577' ' ' LEU . 26.1 m -61.96 -42.5 99.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.573 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.4 OUTLIER -138.89 36.53 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.94 -53.26 20.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -55.85 -44.44 87.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -61.04 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.59 ' O ' HD23 ' B' ' 585' ' ' LEU . 4.1 pt -61.27 -24.98 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.61 HG22 HD23 ' B' ' 586' ' ' LEU . 13.1 m -68.72 -43.87 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -59.74 -43.91 97.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -47.2 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.59 HD23 ' O ' ' B' ' 581' ' ' ILE . 2.6 mm? -55.59 -57.46 11.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.794 HD21 ' HB2' ' A' ' 85' ' ' PHE . 4.1 pp -62.9 -23.3 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.76 -19.4 59.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.528 HD11 HD13 ' B' ' 585' ' ' LEU . 96.9 mt -50.34 -62.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.26 127.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -64.84 -30.33 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 26.0 t -61.03 -49.41 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.34 -45.02 57.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 16.2 mt -52.62 -44.67 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' B' ' 547' ' ' ALA . 0.3 OUTLIER -49.36 -35.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.43 -27.05 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 48.2 mtp -68.2 -24.81 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.76 -51.09 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.34 23.18 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.7 t -117.29 80.81 12.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.699 0.761 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.16 22.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -88.24 -24.51 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.6 m -101.09 -36.56 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 607' ' ' VAL . 63.8 tp -50.43 -61.7 2.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -33.81 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.5 m -61.88 -60.32 3.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 37.6 mmtm -53.58 -45.73 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 603' ' ' LEU . 92.4 t -54.56 -53.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -56.02 -40.88 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.76 -51.89 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.19 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.664 HG21 ' CE1' ' B' ' 574' ' ' HIS . 97.1 t -56.42 -47.42 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.37 73.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.407 HG13 ' HB ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -68.95 -26.1 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 614' ' ' LEU . 2.0 tm? -75.42 -60.17 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.528 ' N ' HD13 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -55.83 -25.39 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.03 -15.01 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -85.62 -45.32 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -150.66 127.74 11.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -105.78 51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.98 144.14 49.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 35.52 4.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -133.98 49.81 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.874 0.368 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -74.92 159.91 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.53 68.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -80.33 -49.05 12.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t 67.35 64.44 0.71 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.463 ' O ' HG11 ' B' ' 613' ' ' VAL . 54.3 Cg_endo -69.71 118.13 5.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.635 2.224 . . . . 0.0 112.351 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -67.94 104.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.764 HG21 HD23 ' B' ' 614' ' ' LEU . 5.3 p -57.18 -20.97 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -83.1 4.19 27.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 100.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.32 163.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -51.87 143.53 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -61.77 -25.37 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 86' ' ' VAL . 4.0 p -113.83 77.98 3.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.59 51.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.675 2.25 . . . . 0.0 112.389 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 t -140.21 162.82 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.499 ' CD1' HD12 ' A' ' 90' ' ' LEU . 1.5 p90 -126.2 14.17 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -105.3 98.71 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -29.08 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.37 174.67 27.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.86 36.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -158.13 119.52 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -85.87 160.59 52.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 1.061 HD22 HD11 ' B' ' 550' ' ' LEU . 0.3 OUTLIER -103.65 158.16 16.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 20.4 p -139.32 169.73 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.877 ' HB2' HD22 ' B' ' 594' ' ' LEU . . . -53.18 -43.88 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -21.24 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.3 ttt -94.24 -52.85 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 1.061 HD11 HD22 ' B' ' 545' ' ' LEU . 0.6 OUTLIER -61.53 -26.2 67.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.33 -16.83 56.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 14.7 m -88.86 -25.51 22.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -90.06 159.44 42.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.551 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.73 168.19 22.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -10.85 29.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -93.08 -34.09 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -78.91 -41.69 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.602 ' HB3' HD23 ' B' ' 550' ' ' LEU . 37.9 mt-30 -54.11 -33.12 56.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.99 -64.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -56.75 -36.08 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -60.28 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.417 ' HG ' HD21 ' B' ' 550' ' ' LEU . 30.2 mt -52.58 -50.5 62.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . 0.465 ' HA3' HD22 ' B' ' 586' ' ' LEU . . . -60.95 -45.17 97.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.1 -41.23 74.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.354 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.601 ' HG3' HD21 ' B' ' 545' ' ' LEU . 3.5 mmp_? -75.58 -30.02 59.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.71 -23.64 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -53.32 -57.94 14.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.683 0.754 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.82 -32.0 19.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 569' ' ' LEU . 23.2 mt -59.99 -58.31 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.593 HG21 HD11 ' B' ' 581' ' ' ILE . 5.5 mt -75.01 -18.72 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' B' ' 568' ' ' PRO . 11.9 tt0 -57.8 -21.92 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -86.36 4.42 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 36.6 mtm -131.15 -59.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.472 ' ND1' HG21 ' B' ' 611' ' ' VAL . 40.7 m170 -132.19 70.02 80.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.515 ' HA ' ' HB2' ' B' ' 578' ' ' ALA . 54.3 Cg_endo -69.74 -27.26 26.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.489 ' HB ' HD12 ' B' ' 577' ' ' LEU . 8.8 m -50.8 -32.66 20.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' B' ' 576' ' ' THR . 0.6 OUTLIER -142.75 27.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' B' ' 575' ' ' PRO . . . -50.12 -56.34 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.9 -41.95 68.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -58.66 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.661 HD12 HG13 ' B' ' 607' ' ' VAL . 5.2 pt -62.67 -23.78 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 19.3 m -69.3 -45.97 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -58.6 -41.91 95.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 1.3 mtm -70.03 -55.06 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' B' ' 606' ' ' LYS . 3.4 mp -52.31 -56.88 11.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.465 HD22 ' HA3' ' B' ' 563' ' ' GLY . 0.6 OUTLIER -59.28 -27.46 65.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.37 -19.49 58.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . . . . . . . . . 74.1 mt -50.35 -62.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . 0.415 ' C ' HD12 ' B' ' 593' ' ' LEU . 0.3 OUTLIER 175.03 127.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -60.76 -31.71 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 58.0 m -63.52 -50.86 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.63 -46.67 62.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.726 HD23 ' HE2' ' B' ' 596' ' ' MET . 10.2 mt -53.51 -45.5 69.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.877 HD22 ' HB2' ' B' ' 547' ' ' ALA . 11.8 mt -50.11 -31.93 14.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -92.65 -25.58 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.726 ' HE2' HD23 ' B' ' 593' ' ' LEU . 16.5 mtm -70.07 -24.19 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . . . . . . . . . 16.3 mt -48.42 -42.01 30.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.71 24.38 13.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.3 t -116.03 82.65 11.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.91 22.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -93.58 -2.23 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.6 m -122.89 -47.59 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.717 ' O ' HG23 ' B' ' 607' ' ' VAL . 39.4 tp -50.28 -45.82 54.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -58.59 -55.18 38.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.8 t -49.35 -45.35 45.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' B' ' 585' ' ' LEU . 12.9 mmtp -60.52 -54.01 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 603' ' ' LEU . 36.7 t -51.46 -48.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.03 -41.09 99.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.79 -45.27 78.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.659 ' CB ' HG22 ' B' ' 581' ' ' ILE . . . -68.23 -57.79 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.472 HG21 ' ND1' ' B' ' 574' ' ' HIS . 67.8 t -51.07 -36.51 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -75.98 -32.45 59.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.463 HG11 ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -57.57 -25.41 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.764 HD23 HG21 ' A' ' 80' ' ' VAL . 1.2 tm? -75.01 -53.43 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.475 ' N ' HD13 ' B' ' 614' ' ' LEU . 13.4 mt-30 -51.32 -30.79 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.54 87.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -72.15 -65.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -165.81 163.1 18.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -157.2 141.36 16.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -134.13 158.22 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -96.16 94.56 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -106.77 74.57 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.948 . . . . . . . . 0 0 . 1 stop_ save_