data_6oq2_residue ############################ # Computer software used # ############################ 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 6oq2 _Structure_validation_residue.Date_analyzed 2019-10-18 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 ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.863 0.363 . . . . 10.0 110.945 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -89.91 136.9 32.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.38 151.56 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.835 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -103.83 134.24 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.581 0.229 . . . . 10.0 110.483 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -118.06 112.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.63 140.03 30.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.873 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -87.67 -102.5 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -143.53 -47.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -69.2 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -21.96 0.2 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.4 -0.905 . . . . 10.0 112.711 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -56.74 121.48 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 10.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -120.51 122.02 39.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.874 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -102.1 150.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -117.81 124.19 47.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 110.699 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -126.88 139.96 52.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -92.41 129.0 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.73 171.76 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -97.7 155.17 37.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.81 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.07 -35.53 98.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.498 2.132 . . . . 10.0 112.497 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 21.49 10.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.08 132.21 42.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 149.48 31.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.383 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.27 -38.73 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.257 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.96 -27.81 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 10.0 111.097 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -77.93 -40.59 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.52 -41.8 91.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.251 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.45 -36.31 77.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.755 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.23 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.62 -35.84 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 10.0 109.71 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.55 -32.54 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.843 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -69.94 -29.15 66.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.306 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -54.69 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.729 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -76.13 -60.94 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -73.45 -33.53 64.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.05 35.82 14.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.349 -0.929 . . . . 10.0 112.246 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.23 123.36 37.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.83 126.78 23.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 10.0 112.288 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -59.11 -28.15 87.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.462 2.775 . . . . 10.0 112.437 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -69.25 -19.59 63.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.47 8.23 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.578 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.0 117.3 29.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -111.21 99.47 8.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.8 121.47 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.834 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.5 mt -120.21 138.48 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.634 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -153.95 136.64 15.22 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.65 4.42 3.37 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.4 1.08 50.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -123.13 159.2 29.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.713 0.292 . . . . 10.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.7 144.72 26.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.611 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.3 mt -94.69 118.73 32.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.74 140.4 42.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.385 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.83 -44.16 70.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.822 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.07 9.72 37.74 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 114.782 0.673 . . . . 10.0 114.782 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -104.47 155.16 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.497 0.649 . . . . 10.0 110.166 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -98.97 166.09 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.04 -29.59 70.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.18 0.514 . . . . 10.0 110.409 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -23.44 61.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.901 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.54 -37.14 84.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.134 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -97.13 -3.17 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.401 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 t30 64.48 57.0 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.64 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.45 132.83 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.383 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -102.09 174.66 5.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.966 0.412 . . . . 10.0 111.836 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttp-105 -68.2 144.04 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.314 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 66.97 44.62 1.95 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.795 0.684 . . . . 10.0 112.798 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -107.56 137.31 45.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -98.44 119.36 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -109.47 156.96 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.766 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -102.69 128.79 49.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.878 0.371 . . . . 10.0 111.433 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.26 109.3 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.868 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.03 159.37 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.155 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -84.02 134.34 34.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 10.0 110.587 179.809 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.753 0.311 . . . . 10.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -109.46 128.88 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.508 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -112.82 155.99 13.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.424 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -115.81 117.38 30.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.84 125.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.812 0.339 . . . . 10.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -92.55 113.66 25.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.291 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.6 p -74.87 176.43 7.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 10.0 111.182 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.77 -20.84 61.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.201 0.524 . . . . 10.0 110.223 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -10.75 58.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.993 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.1 19.71 38.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.863 -0.684 . . . . 10.0 111.479 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.2 128.05 43.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.49 101.12 12.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.205 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 pt -90.82 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.347 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.98 126.92 51.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.695 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -121.29 157.69 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.863 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -126.63 110.6 13.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.205 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.43 -176.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.965 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -107.86 154.64 40.91 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.34 -27.54 81.59 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 10.0 111.485 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 1.46 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.286 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.13 142.56 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 10.0 110.823 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.61 31.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.63 -46.84 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.25 -21.99 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -71.08 -39.23 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.055 0.455 . . . . 10.0 110.212 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -71.92 -25.71 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.02 -37.16 76.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.715 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.404 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.84 -28.48 66.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.822 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 16.1 mt -70.6 -33.08 51.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -73.98 -33.2 63.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.799 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.45 -23.52 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.565 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -100.89 -49.98 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -99.28 -44.81 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.27 15.96 11.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.456 -0.878 . . . . 10.0 113.554 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.9 126.73 67.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.69 131.48 37.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.748 2.299 . . . . 10.0 111.845 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.56 -29.97 72.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.263 2.642 . . . . 10.0 112.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -72.58 -20.66 61.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.53 -10.38 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.979 0.418 . . . . 10.0 110.397 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.18 110.46 18.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.052 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -109.75 102.15 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -91.85 124.18 35.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.451 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 38.6 mt -124.83 125.96 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.231 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -115.6 116.18 27.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.734 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.21 44.19 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.145 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.69 -10.71 55.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.611 -0.804 . . . . 10.0 114.364 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -112.53 124.66 53.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.703 0.751 . . . . 10.0 111.707 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.86 143.21 58.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -94.29 125.02 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.787 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.41 127.99 34.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.95 -34.03 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -4.39 90.47 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.067 -0.587 . . . . 10.0 114.296 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -92.0 172.64 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.234 0.517 . . . . 10.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -115.22 176.88 4.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.148 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.69 -29.43 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.969 0.414 . . . . 10.0 110.02 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -33.62 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.996 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -64.32 -26.97 68.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.08 9.31 20.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 10.0 112.111 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 50.79 58.95 4.97 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.499 0.666 . . . . 10.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 68.6 mt -99.87 127.0 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -120.96 -166.89 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.206 0.527 . . . . 10.0 111.849 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -67.96 141.78 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 78.5 4.43 2.6 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -71.93 142.11 49.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -107.62 131.25 54.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.693 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.37 135.29 49.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.281 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -90.63 109.45 20.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.931 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -96.47 109.4 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 10.0 109.925 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.09 170.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.025 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.002 0.43 . . . . 10.0 110.922 -179.789 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.039 0.447 . . . . 10.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -85.86 123.98 31.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -116.31 156.33 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 10.0 111.22 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.83 113.44 20.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.342 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -104.26 134.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -123.0 141.57 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.507 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -99.58 172.41 7.31 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.326 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.27 -25.12 67.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 10.0 111.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -82.87 -3.68 57.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.56 -8.85 68.98 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.694 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.12 123.79 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.934 0.397 . . . . 10.0 110.616 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -107.31 146.45 31.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.6 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -144.42 133.75 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 10.0 110.782 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -93.8 128.59 40.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.04 153.34 47.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.64 97.85 7.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 t -121.18 137.98 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.415 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -70.22 147.9 95.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.75 -31.45 85.89 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.541 2.16 . . . . 10.0 111.885 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 21.64 8.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.669 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -91.75 148.19 22.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.651 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.15 154.94 22.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.069 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.02 -33.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.331 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -56.17 -44.65 79.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.209 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.65 -36.39 78.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.0 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.26 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.83 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . 0.462 ' HZ3' ' CG ' ' E' ' 52' ' ' ASP . 90.0 mttt -58.61 -39.9 81.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.023 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -68.45 -37.38 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.919 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.13 -33.93 66.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.999 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -70.71 -22.32 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.073 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -83.79 -48.23 10.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.601 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -76.33 -54.12 7.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -84.07 -44.49 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.43 41.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.645 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -82.17 123.17 79.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -59.13 139.82 92.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.427 2.085 . . . . 10.0 111.142 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.31 -33.51 76.32 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.09 2.527 . . . . 10.0 111.912 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 7.41 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.797 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -124.47 2.43 8.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -101.88 152.22 21.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.391 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 ttm-85 -146.7 102.94 3.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.65 131.1 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.031 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 64.8 mt -129.12 121.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.722 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.56 120.88 36.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.552 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.83 22.58 13.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.714 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.22 -3.5 76.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -105.4 128.41 53.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.795 0.331 . . . . 10.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -70.32 142.42 52.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.197 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -99.41 122.08 42.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.712 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -78.91 156.74 28.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.279 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' E' ' 27' ' ' LYS . 7.4 m-20 -67.01 -54.13 24.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.77 50.35 3.27 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 114.908 0.723 . . . . 10.0 114.908 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -144.94 164.9 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.991 0.395 . . . . 10.0 110.072 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.92 160.37 15.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.6 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.81 -27.97 69.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.079 0.466 . . . . 10.0 110.975 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.953 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -73.4 -18.52 61.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.126 0.488 . . . . 10.0 110.644 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.08 10.23 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p30 44.66 51.43 8.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -84.84 107.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -78.7 179.29 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -71.74 138.67 48.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 68.78 28.24 5.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.8 0.667 . . . . 10.0 112.8 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -88.57 126.15 35.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 117.05 8.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.03 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.61 131.34 52.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -97.23 133.79 41.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.792 0.33 . . . . 10.0 111.694 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 34.1 tp -121.23 116.13 24.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.499 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 13.8 m -115.33 -170.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.75 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -86.15 150.72 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.255 0.55 . . . . 10.0 111.768 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.611 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.992 0.425 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -105.27 125.09 50.59 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.295 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -104.55 151.6 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -103.62 125.3 50.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -120.93 123.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -108.89 131.03 55.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.955 0.407 . . . . 10.0 111.02 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -86.14 -167.01 1.7 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -10.29 59.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.727 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -94.36 -4.03 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 10.0 111.199 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 -5.63 69.42 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.307 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -71.28 134.69 46.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.586 0.231 . . . . 10.0 110.635 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -117.2 121.58 41.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.764 0.316 . . . . 10.0 110.471 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -109.55 154.26 11.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.287 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -124.79 134.45 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 10.0 110.699 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.8 152.23 48.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.76 0.314 . . . . 10.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.41 123.58 31.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.529 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.64 156.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.977 0.417 . . . . 10.0 111.628 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.95 155.92 35.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.983 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.79 -24.65 74.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.564 2.176 . . . . 10.0 112.062 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -98.39 2.65 48.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.62 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -64.77 125.93 26.33 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -77.48 158.16 30.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.611 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.5 mm -56.92 -41.98 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.092 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.48 75.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.161 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.99 -41.01 91.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.44 -42.95 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.58 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.83 -41.63 87.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.56 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.33 90.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.417 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -68.9 -39.17 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -66.61 -36.9 83.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.911 0.386 . . . . 10.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.41 -13.61 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.246 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -101.93 -58.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.757 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -90.34 -38.6 13.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.823 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -22.24 13.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.704 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.82 122.67 63.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 122.319 0.248 . . . . 10.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.15 139.19 89.31 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.928 2.419 . . . . 10.0 111.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 -30.12 91.06 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.208 2.605 . . . . 10.0 113.594 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.75 -25.08 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 111.584 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.54 4.7 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.957 0.408 . . . . 10.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -90.41 155.32 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -144.3 103.46 3.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.48 123.78 34.45 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.422 -0.353 . . . . 10.0 111.497 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -125.33 135.11 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.726 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -138.09 127.22 24.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.375 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.01 16.06 7.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.176 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.11 -8.68 65.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.598 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.9 156.73 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.781 -0.246 . . . . 10.0 110.715 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.32 146.52 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.33 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.8 mt -89.58 111.57 22.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.772 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -75.68 135.57 40.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.38 -19.64 63.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.019 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.94 5.15 78.97 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.358 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -117.1 154.28 31.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.7 p -94.96 172.35 8.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.61 -32.18 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 10.0 110.496 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -16.57 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.013 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.0 -21.6 61.54 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.99 9.49 18.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 61.45 38.94 15.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.685 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.19 119.07 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -111.77 -159.87 0.7 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.366 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -82.74 151.96 25.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.29 1.57 3.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.564 0.54 . . . . 10.0 112.313 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -68.66 130.03 41.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.078 0.466 . . . . 10.0 110.377 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.8 m -102.11 130.4 48.7 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.087 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.18 160.43 20.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.918 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -104.88 142.38 34.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 10.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.07 116.69 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.189 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.81 175.05 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.048 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.7 160.16 19.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.956 0.407 . . . . 10.0 111.28 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.338 179.729 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.791 0.329 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.71 138.11 36.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.073 0.463 . . . . 10.0 111.718 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -127.59 177.21 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -119.6 132.04 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.792 0.329 . . . . 10.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.98 131.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -98.81 130.02 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -81.21 -178.07 6.75 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.97 -18.44 63.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.009 0.433 . . . . 10.0 110.134 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.49 -15.05 29.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.28 50.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.753 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.48 138.11 50.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -101.77 98.96 9.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 44.6 pt -92.41 146.91 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.113 -0.329 . . . . 10.0 110.113 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.03 117.68 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.944 0.402 . . . . 10.0 110.469 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.41 139.96 50.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -104.07 113.08 26.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.597 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.47 169.13 21.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.434 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -101.03 153.44 37.73 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.76 -24.46 75.82 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.461 2.107 . . . . 10.0 111.968 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.92 3.94 51.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.27 153.19 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.8 158.22 15.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.785 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -60.48 -39.75 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.95 0.405 . . . . 10.0 110.274 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.922 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -70.67 -40.19 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.014 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.31 -38.4 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . 0.412 ' HZ1' ' CG ' ' D' ' 52' ' ' ASP . 96.8 mttt -58.5 -40.11 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.482 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.48 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.031 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.482 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.32 -34.39 65.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -74.37 -27.47 60.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.311 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -77.8 -43.14 31.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -81.19 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.55 -47.76 9.57 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.614 0.228 . . . . 10.0 111.614 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.27 12.45 12.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.418 -0.896 . . . . 10.0 112.601 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.33 121.02 83.26 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.1 129.73 23.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.821 2.347 . . . . 10.0 111.422 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.39 -25.24 47.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.337 2.692 . . . . 10.0 112.594 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.41 -34.28 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.491 . . . . 10.0 110.644 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.53 9.51 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -95.84 150.24 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.136 0.493 . . . . 10.0 111.996 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -166.12 97.59 0.62 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.096 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 66.2 mt -91.32 136.3 33.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.921 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mm -114.91 134.14 58.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.151 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.12 123.14 33.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.675 -0.238 . . . . 10.0 110.391 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.11 -37.64 0.37 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.92 -8.76 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.69 -0.767 . . . . 10.0 112.689 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -115.21 155.22 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.848 0.356 . . . . 10.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.04 135.33 35.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.465 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -79.7 117.96 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.498 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.47 146.2 40.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' HZ1' ' D' ' 27' ' ' LYS . 6.8 m-20 -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.47 42.09 2.57 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.411 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -131.02 153.04 49.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -99.47 171.51 7.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 37.8 mt -66.58 -33.17 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.035 0.445 . . . . 10.0 110.219 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -23.73 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.679 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -37.02 77.44 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.286 0.565 . . . . 10.0 110.125 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.97 8.01 34.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.051 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 60.79 35.84 19.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.043 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.33 122.37 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -110.56 -166.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.282 0.563 . . . . 10.0 111.902 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -70.84 139.78 50.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.762 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 65.4 27.76 11.8 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -74.53 156.61 36.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 11.7 m -117.02 114.88 24.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.293 0.568 . . . . 10.0 111.355 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 89.2 mt -105.72 124.14 49.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.802 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -99.84 131.05 46.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.975 0.417 . . . . 10.0 110.88 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.52 131.63 37.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.022 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.0 154.81 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 120.826 0.346 . . . . 10.0 111.255 -179.217 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.945 0.402 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -73.11 133.01 43.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 10.0 111.978 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -113.42 166.33 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.904 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -121.79 102.91 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.835 0.35 . . . . 10.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -95.13 122.27 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.092 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -120.28 163.36 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.115 0.483 . . . . 10.0 110.914 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -122.41 -166.81 1.47 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.02 -5.48 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 110.504 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 4.9 t -99.5 -20.33 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.836 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.9 -6.6 8.9 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.183 -1.008 . . . . 10.0 113.604 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -72.03 131.47 42.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.603 0.24 . . . . 10.0 111.029 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -131.96 131.01 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.298 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 tp -131.24 134.36 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.84 125.11 45.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.536 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.07 152.64 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.911 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -98.53 110.65 23.21 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.59 132.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.494 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.19 147.61 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.51 -29.91 85.57 Favored 'Trans proline' 0 N--CA 1.473 0.293 0 C-N-CA 122.776 2.317 . . . . 10.0 112.395 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 9.72 14.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.555 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -84.24 163.94 19.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.481 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -101.02 151.84 21.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.792 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.15 -41.16 68.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.248 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -58.06 -40.31 80.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.965 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -72.83 -35.01 67.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.49 -42.36 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -58.52 -39.32 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.308 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.68 84.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.567 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -63.83 -38.66 91.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.929 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.17 -34.13 64.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.508 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.69 -18.28 62.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.227 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.71 -29.3 36.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.772 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -97.8 -50.32 4.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.873 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.86 -52.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.44 -5.59 26.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.515 -0.85 . . . . 10.0 113.151 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.61 128.37 84.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.605 0.24 . . . . 10.0 110.546 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.23 145.73 93.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.04 2.494 . . . . 10.0 112.371 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.3 -27.68 68.15 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.353 2.702 . . . . 10.0 112.221 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -21.57 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.011 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -106.09 2.56 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.994 0.426 . . . . 10.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -96.93 118.0 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.798 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -117.11 98.06 6.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.12 131.31 35.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.949 -0.569 . . . . 10.0 112.464 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -131.12 127.63 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.116 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -116.37 109.53 17.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.717 0.294 . . . . 10.0 111.415 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.91 39.78 23.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.692 -0.685 . . . . 10.0 112.235 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 2.53 90.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.99 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -109.6 125.87 53.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.357 . . . . 10.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.2 138.55 57.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.394 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 43.6 mt -100.78 109.12 21.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.833 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.43 143.13 44.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.414 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.0 -47.43 80.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 36.54 2.35 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 115.279 0.871 . . . . 10.0 115.279 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -132.75 168.72 17.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.635 0.717 . . . . 10.0 110.888 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -105.64 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 10.0 111.219 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.99 -42.2 81.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 111.218 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -62.86 -22.02 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.773 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.93 -21.77 66.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 10.0 110.921 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -115.86 19.84 14.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 p30 49.0 40.58 17.35 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.62 134.98 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.476 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -107.83 -140.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.887 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.9 133.27 46.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.06 30.9 13.81 Favored 'General case' 0 C--O 1.231 0.085 0 O-C-N 123.566 0.541 . . . . 10.0 112.056 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -71.26 137.52 48.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.295 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -79.4 104.05 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 18.1 mt -101.25 131.3 47.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.451 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -96.31 128.62 43.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.81 0.338 . . . . 10.0 111.252 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.68 111.24 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 32.0 m -111.27 171.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.828 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 34.4 tp -84.48 127.15 33.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 10.0 111.433 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.275 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.01 0.433 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.23 123.14 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.267 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.18 151.2 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -112.02 122.45 47.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.903 0.383 . . . . 10.0 111.514 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.0 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.56 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -103.75 136.26 43.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.987 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.31 174.07 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.292 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -26.94 69.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -37.3 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.778 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.43 -21.26 4.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.586 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.49 116.04 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 10.0 111.561 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.96 116.61 32.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 pt -104.03 152.4 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.554 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -106.5 137.62 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.302 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -134.4 142.46 47.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.81 0.338 . . . . 10.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.81 116.18 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.36 171.44 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.354 . . . . 10.0 111.086 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.06 150.93 39.33 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.624 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.4 -27.77 85.85 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.398 2.066 . . . . 10.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.21 1.62 50.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.986 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -72.62 142.71 48.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.064 0.459 . . . . 10.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -90.7 160.21 15.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.106 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.4 -37.88 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.917 0.389 . . . . 10.0 110.185 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -64.05 -30.0 71.1 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.096 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.75 -42.69 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.83 -41.06 87.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.92 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -57.11 -43.99 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.917 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.47 98.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.312 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.43 -36.77 84.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.76 -34.35 67.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -71.46 -33.11 69.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.661 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.23 -25.28 62.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.924 0.392 . . . . 10.0 110.838 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -96.14 -53.24 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.893 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -91.92 -44.68 8.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.79 -9.03 32.07 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.538 -0.839 . . . . 10.0 113.244 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.89 125.84 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.518 0.199 . . . . 10.0 111.348 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.16 130.72 37.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.054 2.503 . . . . 10.0 111.827 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.58 -25.8 61.02 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 123.542 2.828 . . . . 10.0 114.25 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -75.83 -21.71 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.86 -8.69 25.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.89 0.376 . . . . 10.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.5 118.91 19.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.546 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -110.94 96.41 6.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.98 123.31 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.309 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -120.39 130.35 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.864 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -121.98 130.17 53.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.97 -67.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.853 0.721 . . . . 10.0 111.102 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 14.23 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.531 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.59 150.14 50.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.564 -0.374 . . . . 10.0 110.918 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.57 133.01 35.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.5 mt -74.55 126.32 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.03 138.01 43.78 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.98 -43.92 73.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.738 1.014 . . . . 10.0 113.738 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.35 20.18 15.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.782 -0.723 . . . . 10.0 114.671 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -110.17 156.94 19.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.617 0.708 . . . . 10.0 110.658 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -99.66 168.15 10.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.81 -33.95 75.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 10.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -22.64 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.69 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -71.17 -20.88 62.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -110.44 8.82 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 10.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.64 34.89 20.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -76.44 110.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -80.25 -168.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ttp-105 -86.84 146.92 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 60.47 35.63 20.27 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.786 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -95.98 126.44 41.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.686 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -86.14 109.54 18.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.333 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.09 154.34 17.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -106.61 124.96 50.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.109 0.481 . . . . 10.0 111.263 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -103.84 117.01 33.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.12 -177.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.5 tp -92.98 137.77 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.189 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.184 179.315 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.068 0.461 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -84.4 133.39 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.939 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.4 163.62 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.259 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.28 127.55 54.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.896 0.379 . . . . 10.0 110.799 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 52.5 t -116.14 127.29 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.271 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.85 127.65 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.615 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -82.03 -179.36 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.09 -20.73 60.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.147 0.499 . . . . 10.0 109.938 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -22.66 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.43 17.12 12.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.917 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.437 ' HZ3' ' CD ' ' D' ' 34' ' ' GLU . 85.3 tttt -85.07 143.28 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -109.85 111.81 23.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.821 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.27 137.94 38.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.333 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -101.42 126.47 48.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.016 0.436 . . . . 10.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -123.35 138.96 54.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -105.67 112.12 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.65 -173.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.317 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -110.97 153.36 43.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.818 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.8 -32.68 93.12 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.304 2.003 . . . . 10.0 111.526 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.51 10.99 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.465 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.62 142.36 31.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.855 0.359 . . . . 10.0 111.432 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 155.35 27.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.085 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.76 -44.96 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.716 0.293 . . . . 10.0 111.226 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.908 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.21 -38.75 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.164 0.507 . . . . 10.0 109.785 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.96 -34.72 72.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -58.01 -34.53 70.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.165 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.21 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -69.44 -35.33 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 10.0 110.324 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.1 -34.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.65 -26.94 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.536 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -86.52 -43.18 12.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.334 -0.393 . . . . 10.0 111.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -70.96 -50.04 38.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.836 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . 0.437 ' CD ' ' HZ3' ' D' ' 11' ' ' LYS . 13.6 tp10 -98.42 -56.7 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.8 0.333 . . . . 10.0 111.352 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.52 -4.66 8.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.838 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.76 122.95 86.76 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.657 0.265 . . . . 10.0 110.761 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.51 136.89 66.04 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 123.055 2.503 . . . . 10.0 111.564 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.49 -32.51 53.3 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.577 2.851 . . . . 10.0 113.591 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.99 -29.74 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 10.0 111.468 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -94.09 4.57 53.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.458 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -98.15 145.42 26.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.936 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 27.7 ttp85 -156.96 102.35 1.99 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.943 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.9 mt -88.2 132.37 34.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.96 135.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.63 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.54 111.01 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.101 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.35 43.22 31.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.67 -16.84 43.49 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.966 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -95.64 147.0 24.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 117.108 0.454 . . . . 10.0 111.529 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -88.02 133.84 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.09 115.94 23.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.062 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.57 129.67 39.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.77 -25.66 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.926 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.78 10.6 64.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.267 -0.492 . . . . 10.0 113.983 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -115.17 166.41 11.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.26 0.53 . . . . 10.0 110.102 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -104.92 168.64 8.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.217 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.99 -32.93 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 10.0 109.932 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -27.36 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.596 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -64.76 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 10.0 111.483 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.28 0.07 47.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 60.1 t30 61.09 47.48 7.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 mt -88.24 111.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.97 -163.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.651 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.17 150.23 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 73.99 12.04 4.33 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -77.57 149.28 34.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.417 -0.216 . . . . 10.0 110.417 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 5.2 m -114.45 117.47 31.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.093 0.473 . . . . 10.0 111.816 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.83 149.46 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -126.57 148.33 49.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.7 -0.4 . . . . 10.0 111.747 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -115.94 152.13 17.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 10.0 111.632 -179.14 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.056 0.455 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -75.68 119.22 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.427 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -113.65 175.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.098 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.23 136.08 53.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 10.0 111.205 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.19 125.9 74.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -118.22 162.61 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 10.0 111.813 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -125.26 176.22 6.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.089 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.89 -23.75 62.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 10.0 110.061 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -31.58 58.89 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.49 -0.777 . . . . 10.0 110.329 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.67 -11.11 13.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 10.0 112.567 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -60.79 114.53 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.007 0.432 . . . . 10.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -103.97 146.32 28.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.366 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tp -142.47 154.66 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.265 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p -114.08 141.74 47.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.29 128.88 12.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.3 104.88 17.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.209 -0.664 . . . . 10.0 109.209 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 40.7 t -121.66 140.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.462 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.12 143.26 80.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.302 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.44 -23.79 64.63 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.695 2.263 . . . . 10.0 111.608 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 13.94 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.897 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.12 143.97 27.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.717 0.294 . . . . 10.0 110.969 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.81 160.11 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -57.99 -41.04 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.153 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.33 -29.32 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.975 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.55 -41.4 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.68 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.58 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.76 -41.38 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.598 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.75 92.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.229 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -62.32 -40.95 98.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.68 -38.09 79.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.13 0.49 . . . . 10.0 109.837 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.4 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.38 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.8 -25.44 59.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -89.71 -60.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.992 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.55 -49.7 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 5.19 13.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.434 -0.889 . . . . 10.0 112.299 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -83.88 123.51 75.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.4 141.63 89.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.894 2.396 . . . . 10.0 112.275 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.07 -33.55 95.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.374 2.716 . . . . 10.0 112.845 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -4.97 37.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.979 0.419 . . . . 10.0 111.756 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -108.81 4.99 24.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.019 0.438 . . . . 10.0 110.101 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -110.47 140.57 44.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.249 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -130.32 97.66 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.17 124.1 24.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.09 128.71 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.448 -0.797 . . . . 10.0 109.062 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -128.66 115.03 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.96 30.39 19.59 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.1 -9.16 78.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.642 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -96.57 127.86 42.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.663 0.268 . . . . 10.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -75.9 128.56 35.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -87.34 123.13 31.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 10.0 111.245 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -75.04 139.48 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.246 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.15 -42.48 77.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.69 0.996 . . . . 10.0 113.69 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.09 17.32 17.95 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 115.042 0.777 . . . . 10.0 115.042 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -114.7 165.47 12.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.59 0.695 . . . . 10.0 110.973 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.74 179.66 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 10.0 111.927 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.11 -36.88 72.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.939 0.4 . . . . 10.0 111.217 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.91 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.36 -40.45 82.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.087 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -106.53 20.04 19.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.715 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.32 39.2 4.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 31.7 mt -73.54 117.57 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.258 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -100.38 -164.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.096 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -77.81 157.13 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.003 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 61.48 28.52 17.83 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 21.1 m -89.77 161.52 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.219 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -117.42 118.93 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.457 . . . . 10.0 112.088 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -100.12 165.94 11.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.838 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.2 135.54 53.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.531 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -113.87 87.51 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.081 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.0 162.28 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.39 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 tp -77.84 132.84 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.641 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.582 179.159 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.301 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.72 138.2 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.955 0.407 . . . . 10.0 111.222 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -124.96 167.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.779 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.35 129.21 56.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.551 0.215 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.75 114.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -113.77 141.63 47.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.5 p -96.15 -174.82 3.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.89 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.88 -24.26 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 10.0 110.525 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -75.41 -46.78 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.292 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.37 -23.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.317 -0.944 . . . . 10.0 112.831 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -52.98 125.29 16.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 10.0 111.969 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 122.42 38.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.78 141.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.794 0.331 . . . . 10.0 111.084 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.23 122.72 41.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.759 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.29 144.43 50.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -92.65 125.56 37.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.725 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.73 164.17 15.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -104.72 146.02 31.83 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.07 -31.16 81.78 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.48 2.12 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.41 -5.0 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -68.33 133.04 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 10.0 110.451 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 154.24 35.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.655 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.72 -39.13 68.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.88 70.97 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.84 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.86 -38.19 67.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.77 -37.64 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.274 -0.876 . . . . 10.0 109.839 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -57.76 -36.71 72.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.472 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.81 92.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.578 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.63 -40.45 84.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.88 0.372 . . . . 10.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.22 -35.63 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.235 0.54 . . . . 10.0 109.647 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.31 -23.32 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.555 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.71 -42.67 15.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.531 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -77.3 -56.55 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -81.72 -52.64 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.456 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 -11.21 14.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.345 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 127.2 91.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 122.521 0.329 . . . . 10.0 110.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.85 133.65 42.83 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 10.0 112.307 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -55.79 -28.68 68.37 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.563 2.842 . . . . 10.0 113.195 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -25.35 66.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -106.57 3.17 26.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.876 0.37 . . . . 10.0 111.049 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -84.48 104.01 14.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.518 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -100.74 96.09 7.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.71 123.99 33.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -121.43 134.63 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -133.8 132.54 40.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.786 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.85 -67.53 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.759 0.662 . . . . 10.0 111.282 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.74 15.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.522 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -132.74 160.63 36.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 10.0 110.617 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -83.2 141.86 31.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.0 112.54 20.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.97 120.61 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.28 -32.03 55.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.76 -1.32 77.56 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.853 -0.689 . . . . 10.0 113.562 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -105.08 165.46 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.0 0.4 . . . . 10.0 111.436 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.9 p -99.38 -179.57 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.238 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -73.29 -35.58 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.039 0.447 . . . . 10.0 110.021 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -23.9 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.021 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.81 -39.68 92.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -97.69 7.56 46.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.16 35.1 13.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.16 123.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.14 -1.059 . . . . 10.0 108.14 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -113.71 -162.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -73.28 143.15 47.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.792 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.27 20.65 12.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -85.14 130.17 34.66 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.0 m -91.19 125.06 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 10.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.77 150.03 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -107.77 128.77 54.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.241 0.543 . . . . 10.0 112.411 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -99.41 127.31 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.088 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.68 150.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.05 113.13 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.693 -179.059 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.929 0.395 . . . . 10.0 110.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -123.33 129.66 51.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.966 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.62 160.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -115.2 113.1 23.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.478 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -99.36 130.89 47.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -109.66 112.81 25.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 10.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 50.5 p -75.99 176.49 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.36 -23.94 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 10.0 110.334 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -6.19 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.399 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.38 28.23 53.17 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.77 132.85 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.599 0.238 . . . . 10.0 110.387 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 110.08 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.242 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 51.7 mt -110.25 121.11 62.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.03 133.37 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.425 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 mt -134.02 138.07 45.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -87.42 121.19 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -137.18 168.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.265 0.555 . . . . 10.0 112.143 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -112.29 155.31 43.79 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.092 -0.958 . . . . 10.0 108.457 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.68 -33.29 93.45 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.13 1.887 . . . . 10.0 111.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.7 8.15 33.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.982 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.35 136.82 42.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.79 150.9 24.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.757 0.313 . . . . 10.0 111.743 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.89 -45.97 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.359 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.79 -24.71 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.188 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.28 -44.5 29.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.759 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.88 -32.7 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.189 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -57.03 -35.47 69.33 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.887 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.29 79.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.626 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.85 -37.8 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.91 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.859 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.12 -29.66 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.84 -28.99 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.577 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -90.53 -43.38 10.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.424 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.86 -83.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.29 -28.62 0.34 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.008 -1.092 . . . . 10.0 113.643 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.17 122.72 37.88 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 116.646 0.223 . . . . 10.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.65 137.81 79.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.242 2.628 . . . . 10.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -58.55 -25.17 73.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.286 2.657 . . . . 10.0 112.823 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.97 -40.52 95.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.013 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.25 -27.13 38.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.62 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.26 128.41 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.57 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -127.65 101.2 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.02 123.55 29.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.784 -0.643 . . . . 10.0 112.471 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 41.7 mm -118.11 129.3 74.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.414 -0.812 . . . . 10.0 108.976 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -107.82 88.31 2.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.709 0.29 . . . . 10.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.74 51.93 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 -45.9 1.33 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.608 -0.806 . . . . 10.0 114.507 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -87.45 140.75 29.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -82.98 141.1 32.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.887 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.68 142.86 32.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.961 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -82.02 147.76 28.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.52 -42.69 95.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.47 49.78 4.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.577 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -131.76 154.77 48.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.695 0.283 . . . . 10.0 110.535 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.57 173.83 7.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -79.88 -18.93 49.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -10.68 57.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 110.819 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.05 -56.45 6.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.495 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.56 9.88 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.739 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 64.33 60.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.345 0.593 . . . . 10.0 112.184 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -107.03 114.02 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -119.2 -155.72 0.62 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.818 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.9 142.02 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.57 0.224 . . . . 10.0 110.434 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 77.44 3.83 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.393 -0.821 . . . . 10.0 112.84 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -72.84 142.54 48.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -105.09 129.5 53.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.42 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.37 117.57 30.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -91.66 139.31 30.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.57 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 mt -104.52 143.52 32.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.506 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.13 178.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.68 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 42.3 ttp . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.836 0.35 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.28 119.63 29.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.445 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 pt -92.15 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.351 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -124.07 92.62 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 10.0 111.514 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.21 123.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -124.21 138.35 54.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.092 0.473 . . . . 10.0 111.844 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -100.96 159.49 15.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.287 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.32 -12.05 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.32 -10.68 59.0 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.83 0.347 . . . . 10.0 111.293 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 49.72 1.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.869 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -134.99 136.12 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -124.98 127.59 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.732 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tp -121.14 133.93 66.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.431 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 17.6 p -95.11 137.79 33.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.86 145.55 34.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.532 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -88.99 112.71 23.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.017 0.437 . . . . 10.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 51.4 t -128.53 139.44 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.078 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -83.91 153.38 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.23 -17.28 56.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.493 2.129 . . . . 10.0 112.074 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -108.81 12.72 25.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.81 148.65 46.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.989 0.423 . . . . 10.0 111.422 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.46 155.63 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.02 -43.52 89.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.36 . . . . 10.0 110.929 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -62.64 -33.59 75.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.924 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.94 -40.49 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.076 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 63.6 t -62.73 -42.75 97.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -58.63 -39.59 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.271 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.36 94.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.14 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -65.62 -41.05 93.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.661 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.66 -35.46 75.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.181 0.515 . . . . 10.0 110.021 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.934 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -82.16 -42.04 19.59 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -70.44 -53.24 17.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -97.62 -29.42 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.47 26.39 10.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.774 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.91 118.33 57.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.88 140.43 91.74 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.889 2.393 . . . . 10.0 112.029 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.63 -32.79 76.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.322 2.681 . . . . 10.0 112.515 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.27 -34.42 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.237 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.19 2.93 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.647 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -94.75 101.71 13.56 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -97.3 88.73 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.442 -0.947 . . . . 10.0 108.442 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.47 119.42 22.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.434 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -117.67 135.54 57.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.736 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -133.55 111.09 10.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.593 -0.276 . . . . 10.0 110.32 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 36.21 16.56 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.278 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.54 -7.77 79.74 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.987 -0.625 . . . . 10.0 113.708 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -111.62 128.2 55.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.037 0.418 . . . . 10.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.32 143.13 50.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 10.0 110.422 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 49.1 mt -85.85 107.4 17.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -66.76 141.6 57.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.379 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.73 -43.93 93.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.666 0.988 . . . . 10.0 113.666 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.87 41.44 2.18 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 115.07 0.788 . . . . 10.0 115.07 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -144.16 173.17 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.458 0.629 . . . . 10.0 110.449 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 60.8 p -104.96 175.04 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 10.0 111.435 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -35.11 72.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 10.0 110.651 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -15.81 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -33.35 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.88 19.36 20.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.454 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 45.91 44.39 11.12 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.259 0.837 . . . . 10.0 113.259 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -75.52 107.11 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -85.42 -173.56 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 140.05 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.796 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.39 59.19 3.09 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.73 0.644 . . . . 10.0 112.165 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -109.95 141.41 42.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.848 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -78.15 118.84 20.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.758 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 95.3 mt -111.59 108.6 18.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.697 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -74.78 130.73 39.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.612 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.23 117.44 25.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.783 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 m -123.72 -179.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.295 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.3 140.04 42.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.947 0.403 . . . . 10.0 111.068 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.529 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.59 0.233 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -76.86 114.86 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.0 pt -122.02 145.21 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.335 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -116.44 97.84 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.431 . . . . 10.0 111.293 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.77 118.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -110.69 128.41 55.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.083 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -72.8 176.14 5.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.585 -0.279 . . . . 10.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.19 -23.59 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -44.15 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 10.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.34 -6.85 1.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.897 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -64.54 123.98 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.776 0.288 . . . . 10.0 110.703 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 125.51 44.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.294 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 pt -110.51 135.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -102.53 135.87 43.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.053 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -145.86 157.83 43.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.357 . . . . 10.0 110.966 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -101.55 102.25 12.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.72 151.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 10.0 111.528 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.29 151.47 37.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.31 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.92 -31.0 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.573 2.182 . . . . 10.0 112.159 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.36 10.36 12.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.124 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -82.81 131.94 35.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.73 147.36 33.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.693 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 -33.94 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.175 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -40.88 91.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.742 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.59 -40.0 64.2 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -54.8 -44.7 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.357 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -66.94 -37.71 84.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.993 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -30.47 71.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.389 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -65.74 -45.59 82.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.804 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.83 -34.74 72.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.295 0.569 . . . . 10.0 110.595 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -44.45 10.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.04 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.57 -56.39 22.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.704 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.44 2.0 6.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.243 -0.98 . . . . 10.0 113.04 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.73 119.1 72.23 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.42 133.86 60.55 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.921 2.414 . . . . 10.0 111.809 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -62.77 -29.04 76.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.206 2.604 . . . . 10.0 112.899 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -72.61 -18.86 61.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -104.56 1.58 29.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.96 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -88.37 128.52 35.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.381 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -119.16 88.27 2.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.818 0.342 . . . . 10.0 110.643 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.56 112.14 19.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.33 128.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.341 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -131.43 130.5 42.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.688 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.25 21.67 11.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.621 0.576 . . . . 10.0 112.062 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.32 8.07 78.61 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.159 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -122.0 150.93 41.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 10.0 111.471 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.77 135.15 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.55 115.92 21.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.854 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.54 148.88 42.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.17 -52.36 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.53 25.88 2.36 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 114.979 0.752 . . . . 10.0 114.979 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -120.18 155.22 33.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.425 0.612 . . . . 10.0 110.499 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -102.27 -179.89 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.746 0.308 . . . . 10.0 110.403 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.2 mt -69.28 -35.26 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 10.0 109.724 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -21.25 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.367 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.4 -42.12 83.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.497 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -95.65 14.68 22.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 t30 63.15 28.23 15.91 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.846 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.39 120.67 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -116.34 -161.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.41 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.6 ttp-105 -73.96 142.35 45.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.885 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.76 15.22 10.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.507 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -77.58 133.48 38.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.282 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -95.13 132.48 40.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 10.0 112.017 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.72 138.94 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -101.19 121.32 41.64 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.03 88.13 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.222 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m -93.19 -173.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.656 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 tp -82.53 135.4 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 10.0 110.763 179.658 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.031 0.443 . . . . 10.0 110.414 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -81.63 120.75 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.282 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.76 157.07 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.89 135.46 54.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 10.0 111.891 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -122.59 125.19 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -103.24 126.12 50.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.876 0.369 . . . . 10.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 40.1 p -89.83 177.72 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.146 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.1 -20.5 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.52 . . . . 10.0 110.652 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.18 -10.23 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.74 36.33 7.92 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.954 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -121.54 140.25 52.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.322 . . . . 10.0 110.717 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -108.46 116.25 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.893 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -100.56 135.54 36.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -97.06 117.75 31.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -117.11 149.46 40.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 110.97 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -123.43 87.18 2.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.199 0.523 . . . . 10.0 110.449 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -112.29 170.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.861 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.48 151.89 38.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.3 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 -22.19 72.09 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.231 . . . . 10.0 112.231 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -82.96 -9.63 59.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.748 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.74 141.27 42.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.472 . . . . 10.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 162.94 20.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.226 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.9 -37.79 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 10.0 110.233 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.85 -26.69 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.362 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -73.42 -37.88 65.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.455 . . . . 10.0 109.773 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.24 -40.3 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.087 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -55.69 -41.25 73.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.698 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.31 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.677 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -70.04 -38.32 75.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.26 -38.26 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.169 0.509 . . . . 10.0 109.959 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.1 -32.95 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.076 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.49 -42.11 65.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.566 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -85.23 -58.3 2.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -82.23 -41.78 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.001 0.371 . . . . 10.0 112.001 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.79 29.83 5.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.209 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -103.52 115.42 63.69 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.7 135.23 69.35 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.752 2.302 . . . . 10.0 111.623 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.31 -28.37 52.58 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.302 2.668 . . . . 10.0 112.756 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -66.1 -32.52 74.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.217 0.532 . . . . 10.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -94.33 3.22 55.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.586 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -95.17 126.35 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.335 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -137.4 100.22 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.32 128.64 43.43 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -110.75 134.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.345 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' D' ' 47' ' ' GLY . 38.7 t80 -113.44 89.97 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.831 -0.348 . . . . 10.0 111.738 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.38 -22.24 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 10.0 114.263 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' D' ' 45' ' ' PHE . . . 176.63 -56.76 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.525 -0.63 . . . . 10.0 111.525 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -73.12 144.06 47.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.725 0.298 . . . . 10.0 110.346 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.02 139.41 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.14 115.66 23.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.462 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -81.87 143.52 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -38.63 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.12 12.68 57.53 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.088 -0.577 . . . . 10.0 114.001 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -101.22 151.87 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.016 0.408 . . . . 10.0 110.826 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 25.9 p -104.99 178.08 4.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.85 -37.52 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 10.0 110.579 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -22.01 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.792 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -34.09 72.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.014 0.435 . . . . 10.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -118.27 6.95 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.269 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.09 39.75 22.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.274 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 53.1 mt -68.7 124.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -107.26 -166.13 1.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.288 0.566 . . . . 10.0 112.291 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -74.28 153.43 39.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.382 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.43 6.26 5.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 28.2 m -68.07 146.92 53.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 10.0 110.466 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -112.08 111.55 22.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.155 0.502 . . . . 10.0 111.713 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.7 136.16 33.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.294 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -99.61 112.28 24.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.143 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tt -96.58 96.07 8.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.845 0.355 . . . . 10.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 31.2 m -91.47 175.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.416 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 120.987 0.422 . . . . 10.0 111.873 -179.015 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.916 0.389 . . . . 10.0 110.565 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -88.86 120.67 30.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.15 152.95 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.116 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -112.52 113.48 25.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 10.0 111.424 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -101.64 119.04 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.691 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -115.03 133.51 55.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.777 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.0 -170.2 2.36 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.32 0.83 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.17 0.509 . . . . 10.0 110.152 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -8.31 36.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.45 -1.39 55.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.21 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.29 152.49 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.753 0.311 . . . . 10.0 110.581 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 21.9 m -139.54 130.0 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.167 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.15 141.53 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -100.09 134.1 43.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.953 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -128.71 139.03 52.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -101.39 110.69 22.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.919 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 m -140.54 179.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.582 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -110.1 152.23 42.98 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.27 -28.69 87.37 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.424 2.082 . . . . 10.0 112.176 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -83.19 -4.67 58.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.178 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.01 150.81 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.843 0.354 . . . . 10.0 110.528 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -91.6 161.16 15.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.596 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -58.3 -45.1 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.87 -36.27 78.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.795 0.331 . . . . 10.0 110.718 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.35 -39.22 93.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.14 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -72.14 -35.85 54.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.926 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.29 -37.07 71.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.833 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.63 99.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.291 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -65.87 -33.81 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.427 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.37 -41.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.504 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.73 -26.8 61.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.517 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -24.26 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -105.83 -56.62 2.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.792 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -78.54 -48.49 15.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.906 0.384 . . . . 10.0 111.423 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.66 -9.86 30.2 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.907 -0.663 . . . . 10.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.54 124.38 88.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.189 -0.301 . . . . 10.0 110.189 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.23 140.2 90.92 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.767 2.311 . . . . 10.0 111.668 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.22 -32.22 79.55 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.316 2.677 . . . . 10.0 112.534 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.52 -23.71 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.44 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -97.77 -3.2 39.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.531 . . . . 10.0 110.185 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -90.6 124.69 35.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.429 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -125.23 102.64 7.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.91 129.19 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.221 0.534 . . . . 10.0 111.931 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.71 124.99 70.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.596 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -126.08 118.91 26.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.993 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.38 34.74 15.43 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.686 0.616 . . . . 10.0 111.663 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.59 11.22 85.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.382 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -119.97 134.11 55.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.826 0.313 . . . . 10.0 111.323 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.53 131.49 43.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.519 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -88.47 146.23 25.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.039 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -82.39 153.26 25.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.026 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.91 -43.44 62.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.033 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.21 53.02 2.49 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 10.0 114.625 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -140.1 168.94 18.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.963 0.381 . . . . 10.0 110.048 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -101.29 173.68 6.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.825 0.345 . . . . 10.0 111.603 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.63 -34.16 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.71 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -69.62 -19.95 63.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.273 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.32 -23.31 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.912 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -113.34 16.89 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 p30 47.51 36.36 5.13 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -67.59 121.62 17.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.086 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -96.07 -174.59 3.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.75 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -69.77 131.28 44.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.37 46.46 7.66 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.19 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -82.76 162.87 21.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.498 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -95.51 97.6 9.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 10.0 111.207 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.67 120.89 39.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.761 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -91.78 138.32 31.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.809 0.337 . . . . 10.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.22 121.28 37.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.74 -178.94 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.059 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.07 145.07 46.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.931 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.054 179.451 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.032 0.444 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.3 123.88 47.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.721 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -111.51 167.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -111.86 144.39 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 10.0 111.274 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -124.5 117.49 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -111.81 137.26 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 10.0 112.349 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.2 p -88.32 -168.74 2.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.987 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -88.19 -20.59 25.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.034 0.445 . . . . 10.0 110.365 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -77.2 -27.74 53.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.46 2.1 10.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.723 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.31 130.27 35.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -125.75 115.73 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 10.0 110.842 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 pt -105.38 166.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.349 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -123.28 135.5 54.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.26 147.28 50.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.618 0.247 . . . . 10.0 111.568 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -87.07 126.69 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.96 164.26 28.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.084 0.469 . . . . 10.0 110.976 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -109.77 153.21 43.13 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.714 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.29 -26.11 80.67 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.61 2.207 . . . . 10.0 111.717 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -98.97 14.12 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.651 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.1 133.83 38.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.837 0.351 . . . . 10.0 110.677 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 153.81 21.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.185 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -59.19 -34.39 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 10.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.45 -35.02 77.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.566 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -73.95 -36.58 64.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.33 -42.85 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.629 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.413 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 90.3 mttt -59.23 -41.19 88.12 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.633 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.752 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.99 -39.95 94.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 10.0 110.435 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.02 -37.47 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.997 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -71.94 -28.83 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.97 -37.24 69.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.566 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -95.74 -42.86 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -97.17 -34.68 11.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.12 60.8 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.223 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.82 119.65 62.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 10.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.86 132.24 43.99 Favored 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 123.131 2.554 . . . . 10.0 112.762 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.88 -32.06 94.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.218 2.612 . . . . 10.0 112.651 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.2 -24.26 66.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.548 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -103.29 4.63 36.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 10.0 110.852 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.48 116.84 27.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.168 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -119.04 74.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.04 122.27 19.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.937 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.8 mt -123.21 128.41 74.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -120.58 135.42 55.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.52 -71.03 0.12 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.768 0.667 . . . . 10.0 111.015 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.55 15.95 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.402 -0.679 . . . . 10.0 111.402 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -130.45 154.9 47.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 10.0 110.691 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -81.56 138.96 35.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.473 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -85.15 122.46 29.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -88.04 139.42 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.413 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 4.9 m-20 -57.95 -23.81 55.27 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.11 -2.85 87.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.266 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -104.32 163.98 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.56 -0.376 . . . . 10.0 110.997 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.9 p -105.99 173.12 6.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.648 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.44 -39.25 93.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.08 0.467 . . . . 10.0 111.04 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.3 m -75.51 -5.88 47.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -31.44 63.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.0 13.69 25.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.159 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 58.79 49.04 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.457 -0.792 . . . . 10.0 112.065 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -91.13 113.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.13 -162.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.888 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -63.26 146.5 53.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.026 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 58.23 45.91 16.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.0 m -108.98 124.89 51.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.848 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -96.36 118.12 32.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.671 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.01 141.88 33.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -100.53 128.5 46.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.229 0.538 . . . . 10.0 112.07 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -89.51 97.61 11.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.163 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -77.97 138.87 19.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.611 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.74 130.16 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.87 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.771 0.32 . . . . 10.0 110.731 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -107.23 123.75 48.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.175 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.8 162.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.162 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -110.79 123.17 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.968 0.413 . . . . 10.0 110.403 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -108.73 118.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.55 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -97.63 115.46 27.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.974 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -83.35 171.47 13.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.715 0.293 . . . . 10.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 80.5 mt -66.83 -21.69 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.103 0.477 . . . . 10.0 111.083 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -9.25 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.764 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.99 21.09 47.59 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.457 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.414 ' HZ3' ' CD ' ' D' ' 34' ' ' GLU . 81.6 tttt -99.34 134.21 42.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.69 115.32 29.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.72 0.295 . . . . 10.0 110.996 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 pt -108.62 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.269 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.85 140.32 39.86 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -128.46 151.3 49.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.54 0.21 . . . . 10.0 111.509 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.93 112.96 26.03 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.032 -1.099 . . . . 10.0 108.032 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.91 178.16 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -123.1 152.1 62.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.7 -31.63 80.7 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.59 2.194 . . . . 10.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -100.81 24.17 9.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.419 . . . . 10.0 111.745 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.58 156.87 24.97 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.0 151.32 22.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.906 0.384 . . . . 10.0 111.876 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.27 -39.37 73.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.989 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.91 -34.92 73.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.281 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.02 -34.93 66.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.999 0.428 . . . . 10.0 109.964 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.78 -43.53 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.733 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . 0.438 ' HZ1' ' CG ' ' D' ' 52' ' ' ASP . 93.4 mttt -59.95 -38.29 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.94 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.26 82.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -68.07 -36.02 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.726 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -68.25 -32.42 55.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.319 0.581 . . . . 10.0 109.454 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -74.12 -33.93 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.247 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -72.66 -37.53 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.274 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -77.08 -71.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.37 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . 0.414 ' CD ' ' HZ3' ' D' ' 11' ' ' LYS . 17.2 tp10 -79.04 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.08 0.467 . . . . 10.0 111.224 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.71 19.33 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.195 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 38.2 mt -80.42 127.34 76.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.479 -0.193 . . . . 10.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.04 123.55 13.72 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.868 2.378 . . . . 10.0 111.794 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.82 -29.19 85.2 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.333 2.688 . . . . 10.0 112.489 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.1 -27.11 67.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.459 . . . . 10.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -95.91 -7.83 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.72 125.51 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.695 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -122.83 90.83 3.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.97 122.81 23.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 10.0 112.807 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.72 141.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -133.15 101.98 5.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.719 0.295 . . . . 10.0 110.535 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 52.53 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.462 -0.79 . . . . 10.0 112.307 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 -49.21 3.23 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.747 -0.74 . . . . 10.0 113.742 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -84.26 140.85 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.998 0.399 . . . . 10.0 111.724 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.23 150.3 37.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.464 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -94.15 143.61 26.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.301 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -98.43 137.78 36.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.929 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . 0.438 ' CG ' ' HZ1' ' D' ' 27' ' ' LYS . 4.3 m-20 -59.81 -42.04 92.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.27 39.05 2.61 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.439 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -134.54 156.6 48.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -93.6 170.66 9.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.292 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.88 -24.39 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.17 0.51 . . . . 10.0 110.427 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -22.73 42.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.182 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -40.77 84.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.462 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -108.9 8.64 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.03 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.8 64.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 10.0 113.533 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -97.84 114.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.76 -1.2 . . . . 10.0 107.76 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -99.51 -151.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -86.23 143.72 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 69.57 7.15 6.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.525 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.2 m -73.39 128.35 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.911 0.386 . . . . 10.0 110.1 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 88.6 m -92.95 130.28 38.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.559 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -96.8 143.28 27.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -102.39 139.45 37.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.442 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.9 141.7 50.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 10.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 m -134.5 154.86 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 10.0 111.685 -179.182 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.835 0.35 . . . . 10.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -93.44 120.42 33.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.378 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -103.59 162.04 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.938 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -121.81 109.14 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.097 0.475 . . . . 10.0 111.275 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.75 128.66 48.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -123.98 139.22 54.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.054 0.454 . . . . 10.0 111.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' THR . . . . . 0.427 ' C ' ' H ' ' E' ' 9' ' ' THR . 0.9 OUTLIER -94.18 174.59 7.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 13.64 0.26 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' THR . . . . . 0.427 ' H ' ' C ' ' E' ' 7' ' ' THR . 15.2 t -119.4 -4.11 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.492 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -11.16 60.43 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.615 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.68 132.91 55.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.599 0.238 . . . . 10.0 110.453 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.03 127.61 49.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.505 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tp -121.98 143.54 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.294 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -98.74 135.47 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -136.28 130.07 32.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.637 0.256 . . . . 10.0 111.535 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -90.37 103.71 16.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.38 142.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.343 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.6 146.49 50.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.99 -20.46 67.58 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.894 2.396 . . . . 10.0 113.465 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -10.18 59.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.94 155.25 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.894 0.378 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.55 165.26 13.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.059 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 44.0 mm -58.99 -39.43 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.544 0.212 . . . . 10.0 111.386 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.97 -36.4 77.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 10.0 110.679 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.89 -38.22 88.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.255 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.99 -35.84 73.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.38 -36.22 83.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.29 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.06 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.574 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -67.4 -36.79 81.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.693 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.66 -33.23 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.476 0.655 . . . . 10.0 109.321 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.44 -16.22 62.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.809 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -90.36 -49.67 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.901 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.1 -47.62 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 10.0 111.5 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.2 7.82 34.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.695 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.38 122.67 75.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 110.351 -0.24 . . . . 10.0 110.351 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.87 145.15 99.45 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.797 2.331 . . . . 10.0 111.517 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.78 -30.56 68.03 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.086 2.524 . . . . 10.0 112.724 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.45 -24.43 63.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.023 0.44 . . . . 10.0 110.932 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -95.66 -6.14 40.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.371 0.605 . . . . 10.0 109.554 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -93.27 122.68 35.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.784 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -130.67 104.17 7.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.74 136.63 37.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.128 0.489 . . . . 10.0 111.753 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -126.27 120.42 56.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.677 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -111.3 108.56 18.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.551 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.28 37.43 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.858 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.59 2.18 87.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.842 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -107.65 115.88 30.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.754 0.311 . . . . 10.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 123.29 20.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.733 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.47 138.67 43.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.756 0.312 . . . . 10.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -88.47 171.47 10.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.637 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -87.48 -49.65 7.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.818 0.342 . . . . 10.0 111.725 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.68 51.17 4.53 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.22 -0.514 . . . . 10.0 113.57 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -145.07 166.37 25.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 60.0 p -107.39 178.72 4.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.697 0.284 . . . . 10.0 110.916 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.22 -29.85 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 10.0 110.675 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -69.57 -19.51 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.169 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -29.43 70.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.658 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.59 20.25 14.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 p30 46.09 45.16 12.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.202 -0.908 . . . . 10.0 113.413 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -69.94 113.7 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.978 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -97.43 -160.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.821 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -81.52 147.44 29.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.527 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 65.14 29.49 11.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -82.09 142.9 31.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 23.7 m -103.53 113.44 26.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.66 127.43 48.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.937 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -89.54 130.15 35.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.681 0.277 . . . . 10.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -116.41 120.92 40.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.688 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.26 -175.32 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -91.17 132.14 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 10.0 111.339 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.91 179.743 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.771 0.319 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.59 104.54 15.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.464 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -87.28 163.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -110.47 144.56 39.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.869 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.72 121.86 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -112.92 136.59 52.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.909 0.385 . . . . 10.0 111.431 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -86.36 -165.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.091 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.66 -37.27 56.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 10.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.54 32.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.088 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.74 -20.11 0.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.43 -0.89 . . . . 10.0 112.673 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.96 122.54 5.9 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.822 0.449 . . . . 10.0 111.662 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -119.56 113.18 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.534 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -101.92 158.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.926 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.49 141.91 41.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 mt -137.09 121.04 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -82.35 103.45 11.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -133.16 167.52 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.124 0.487 . . . . 10.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -107.68 158.79 32.48 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.35 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.03 -28.51 86.23 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.191 1.927 . . . . 10.0 111.492 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -3.74 48.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.815 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.5 124.8 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 10.0 110.386 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.31 148.15 37.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.945 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.15 -45.72 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.607 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -75.24 -39.18 60.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.95 -35.01 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -59.35 -42.67 92.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.812 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.77 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.329 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -66.61 -40.84 89.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.451 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.8 -36.3 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.633 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -63.16 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.56 -37.18 71.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -97.37 -40.78 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -91.19 -22.93 20.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.04 83.99 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.82 -0.705 . . . . 10.0 113.411 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -92.97 119.77 67.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.61 140.24 90.07 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.983 2.456 . . . . 10.0 112.107 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.35 -27.83 86.0 Favored 'Trans proline' 0 N--CA 1.477 0.531 0 C-N-CA 123.538 2.825 . . . . 10.0 113.724 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -69.41 -17.17 63.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.704 0.288 . . . . 10.0 111.662 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -112.35 13.41 20.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.056 0.455 . . . . 10.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -103.14 121.53 42.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -120.91 112.07 18.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 mt -99.93 116.09 31.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.768 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.74 112.66 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.357 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -110.84 120.06 41.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.41 16.8 7.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.387 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.78 10.96 48.41 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -119.7 134.14 55.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.641 0.258 . . . . 10.0 110.757 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -80.78 119.37 23.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -75.43 125.84 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.226 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -79.63 143.1 34.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.269 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.07 -39.71 69.55 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.41 15.9 32.53 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.802 -0.713 . . . . 10.0 114.444 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.8 158.42 19.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.303 0.552 . . . . 10.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 173.97 6.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.07 -40.84 78.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 10.0 110.71 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -17.56 63.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.316 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.1 -36.25 69.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.248 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -94.89 5.43 51.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.5 45.56 6.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.501 0.667 . . . . 10.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.81 103.4 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.426 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -92.09 178.81 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.377 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -64.94 161.62 18.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.025 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.3 31.18 13.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.421 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -116.09 141.45 48.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.824 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.7 m -111.69 140.45 46.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.199 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.65 146.85 29.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -108.37 127.95 54.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.939 0.4 . . . . 10.0 111.545 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -107.11 125.09 50.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.761 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 m -125.85 166.5 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.063 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mp -72.42 115.53 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.446 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.89 0.376 . . . . 10.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -103.63 140.88 36.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.293 -0.262 . . . . 10.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.59 164.17 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -122.31 123.88 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.396 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.38 133.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.756 0.312 . . . . 10.0 110.98 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -103.92 103.61 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.105 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.3 p -75.52 172.55 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.472 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.16 -25.97 66.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.939 0.4 . . . . 10.0 110.934 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -13.06 60.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.495 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.17 8.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.59 -0.814 . . . . 10.0 111.636 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -113.2 113.65 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -85.04 103.9 14.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.807 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 pt -104.48 150.46 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.76 129.69 55.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -118.36 152.24 36.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.9 110.36 22.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.101 -1.074 . . . . 10.0 108.101 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.03 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.412 0.625 . . . . 10.0 111.734 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.32 159.82 53.92 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.201 -0.909 . . . . 10.0 108.676 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.31 -24.0 77.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.122 1.881 . . . . 10.0 111.434 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -1.83 56.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.77 144.7 47.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.94 153.19 17.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.32 -43.07 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 10.0 111.032 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.79 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.496 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -75.89 -39.28 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.087 0.47 . . . . 10.0 110.232 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.95 -41.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.857 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.76 -34.92 75.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.484 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.75 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.872 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.68 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.381 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -68.22 -40.05 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.06 -26.97 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.264 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -74.15 -19.63 60.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -104.47 -57.35 2.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -84.32 -54.09 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 10.0 110.907 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.75 3.18 12.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 10.0 112.995 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -74.67 120.3 80.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.724 0.262 . . . . 10.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -58.32 133.75 57.02 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.757 2.304 . . . . 10.0 111.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.2 -26.69 71.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.259 2.639 . . . . 10.0 112.696 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.49 -28.59 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.557 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -101.2 9.77 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -98.72 136.76 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.868 0.366 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -133.21 91.14 2.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.76 126.44 31.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.408 -0.815 . . . . 10.0 113.035 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -119.06 127.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . 0.404 ' C ' ' H ' ' D' ' 47' ' ' GLY . 83.7 t80 -130.34 126.71 37.83 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.43 -37.5 0.39 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.924 0.765 . . . . 10.0 112.841 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' D' ' 45' ' ' PHE . . . 165.61 -32.23 0.23 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.162 -0.542 . . . . 10.0 112.188 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -95.99 171.27 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 10.0 111.278 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -85.37 149.08 25.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.435 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 78.2 mt -94.2 126.83 39.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.583 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.6 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.38 -31.56 61.9 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.735 0.643 . . . . 10.0 112.735 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.84 32.09 4.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 10.0 114.248 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -133.04 158.45 42.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.481 0.64 . . . . 10.0 111.56 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.01 162.35 14.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.007 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -65.42 -39.62 92.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.825 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -62.32 -27.07 68.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 10.0 111.559 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.95 -29.2 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.203 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -99.2 8.11 45.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.747 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 57.3 t30 66.05 29.22 10.14 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.244 0.545 . . . . 10.0 111.129 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.37 123.38 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -118.44 -158.49 0.72 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.294 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -79.51 135.54 36.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 72.55 18.57 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -74.41 139.02 43.73 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -95.36 126.67 40.83 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -109.11 130.04 55.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.566 -0.901 . . . . 10.0 108.566 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -99.96 136.72 39.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.812 0.339 . . . . 10.0 111.481 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -108.24 118.95 38.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.0 173.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.964 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.569 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.146 0.498 . . . . 10.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -84.98 127.45 34.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.786 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.48 167.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.199 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.78 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 10.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.23 120.94 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -112.79 147.14 37.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.207 0.527 . . . . 10.0 111.583 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -116.13 163.42 15.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -15.37 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 10.0 111.507 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -17.69 38.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.977 0.417 . . . . 10.0 111.157 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.0 22.18 9.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.132 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 112.13 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -103.33 130.9 50.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.583 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -126.61 136.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 10.0 110.903 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -101.75 133.04 47.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.448 . . . . 10.0 109.978 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -138.6 143.37 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.808 0.337 . . . . 10.0 110.699 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -102.78 111.28 23.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.551 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.78 179.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.4 147.95 37.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.49 -29.81 89.43 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.483 2.122 . . . . 10.0 111.947 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 11.03 15.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.918 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.32 132.13 34.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 10.0 111.544 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.02 149.96 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.637 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.19 -44.38 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.759 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.74 -31.25 70.57 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -78.76 -36.24 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 10.0 109.917 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.66 -41.41 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -60.11 -37.22 79.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.732 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.73 96.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.994 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -63.97 -39.14 93.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.771 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.91 -41.87 94.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.941 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.0 -39.38 83.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.792 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.45 -42.28 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.75 -49.74 56.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.75 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.25 -103.0 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.281 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.0 28.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.813 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -108.84 117.18 54.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.07 144.02 99.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.873 2.382 . . . . 10.0 112.1 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -53.25 -27.67 39.15 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.398 2.732 . . . . 10.0 112.321 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.77 -27.0 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -102.05 0.5 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.281 0.563 . . . . 10.0 110.286 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -96.27 121.92 38.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.459 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -119.06 101.8 8.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.14 124.05 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.023 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.09 129.56 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 10.0 109.732 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -129.69 128.44 42.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 22.57 11.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.584 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.44 -6.52 82.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.936 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -107.23 144.86 33.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.651 -0.323 . . . . 10.0 110.992 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.96 138.09 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 10.0 111.102 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -93.06 119.85 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.558 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -67.39 129.91 41.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.955 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.64 -32.55 59.19 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.013 0.745 . . . . 10.0 113.013 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 6.09 70.2 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 114.646 0.618 . . . . 10.0 114.646 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -112.44 164.71 12.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.692 0.746 . . . . 10.0 110.654 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -101.86 178.39 4.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.557 0.218 . . . . 10.0 111.175 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.01 -36.1 81.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.12 0.486 . . . . 10.0 111.021 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -69.07 -19.03 64.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.48 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.53 -24.67 66.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 10.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -118.3 20.64 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.001 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p30 48.04 38.19 9.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.944 -1.025 . . . . 10.0 113.745 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.25 115.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.494 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -98.83 -164.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.745 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.74 148.52 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.517 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 65.84 24.11 11.35 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 52.1 m -79.23 141.9 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.644 0.259 . . . . 10.0 110.601 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -100.37 107.7 19.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.905 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.39 143.16 29.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -103.0 123.9 47.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 10.0 110.932 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -108.42 120.91 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.601 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.2 m -121.63 176.56 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.832 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.54 141.44 44.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.045 179.672 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.24 111.29 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.718 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 pt -107.38 151.6 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.743 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -115.37 135.49 54.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.25 126.75 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -108.05 122.73 47.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.571 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 175.03 8.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.638 0.256 . . . . 10.0 111.522 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.25 -20.55 42.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -38.43 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 10.0 110.66 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.03 -9.63 5.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.347 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -62.0 130.64 46.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.63 0.252 . . . . 10.0 110.544 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.21 125.01 51.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 pt -118.91 155.96 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.813 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.76 143.21 39.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.192 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -138.76 157.72 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.912 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.88 113.53 26.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 168.48 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 10.0 111.085 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.62 152.91 44.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.4 -29.8 85.66 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.496 2.131 . . . . 10.0 111.202 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 p -79.09 -0.36 31.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.114 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.88 138.71 36.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 10.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.73 157.37 21.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.53 -36.12 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.62 -25.5 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.238 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -76.35 -39.29 54.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.43 -39.79 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.743 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.408 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 94.9 mttt -57.33 -43.46 83.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.979 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.47 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.288 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.18 -41.79 94.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.465 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -68.67 -34.49 65.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.33 0.586 . . . . 10.0 109.586 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.22 -32.32 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.248 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.8 -39.66 23.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.024 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -78.09 -63.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.15 -40.3 19.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.049 0.388 . . . . 10.0 112.049 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 40.23 3.46 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.181 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -106.2 126.17 31.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -50.81 124.72 14.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.484 2.79 . . . . 10.0 112.312 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.25 -29.96 87.34 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.986 2.457 . . . . 10.0 112.395 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -75.86 -8.04 55.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.628 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -118.73 7.34 11.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.497 . . . . 10.0 110.466 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -87.6 106.87 18.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -101.48 89.75 3.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.68 116.38 22.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.548 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -111.68 129.41 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.893 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -126.29 134.76 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.386 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.22 -66.14 0.29 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.855 0.722 . . . . 10.0 110.934 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.73 10.13 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.557 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -139.25 163.84 31.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.313 -0.255 . . . . 10.0 110.313 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.33 155.1 22.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 10.0 110.251 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -99.21 142.0 31.26 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -80.0 145.14 32.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.408 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 4.7 m-20 -59.01 -45.12 91.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.43 48.04 3.96 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.015 -0.612 . . . . 10.0 113.567 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -139.72 155.71 47.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.7 176.42 5.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.79 0.328 . . . . 10.0 110.595 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.0 mt -71.72 -37.71 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.058 0.456 . . . . 10.0 110.304 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -25.92 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.187 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -66.86 -21.25 66.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.711 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -115.05 13.19 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.751 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.23 29.07 11.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.34 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -75.19 130.57 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.12 -164.84 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 10.0 111.749 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -74.13 139.26 44.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.977 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 66.14 14.98 9.91 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -77.86 121.2 23.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -86.94 126.62 34.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.43 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.25 156.84 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -112.73 135.9 52.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.148 0.499 . . . . 10.0 111.907 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -114.47 104.0 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.246 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 173.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.39 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.17 146.43 24.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.841 0.353 . . . . 10.0 111.235 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.601 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.949 0.404 . . . . 10.0 110.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.61 114.61 26.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.726 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -98.53 152.59 4.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.589 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.82 126.07 55.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.37 . . . . 10.0 110.876 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.52 131.62 70.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.341 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -95.59 112.34 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -71.14 178.83 3.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.989 0.423 . . . . 10.0 111.528 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.86 -21.93 63.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 10.0 110.155 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -8.13 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.7 11.25 66.13 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.903 -0.665 . . . . 10.0 111.847 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -82.81 143.48 30.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 10.0 110.275 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -100.87 110.56 22.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -102.05 142.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.724 0.297 . . . . 10.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -109.38 127.22 54.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.65 132.81 48.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.673 0.273 . . . . 10.0 111.691 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.6 112.48 24.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -134.65 169.87 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 10.0 111.867 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -105.03 152.63 39.69 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.01 -21.52 73.23 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.295 1.997 . . . . 10.0 111.687 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -90.59 6.2 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.703 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.74 137.12 37.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 10.0 110.868 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.46 165.33 16.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.817 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -33.1 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.857 0.36 . . . . 10.0 111.336 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.5 -35.47 79.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.126 0.488 . . . . 10.0 110.517 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -67.92 -37.13 81.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.43 -39.29 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.89 -45.44 82.59 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.381 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.74 84.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -65.6 -41.7 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.364 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.15 -35.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.213 0.53 . . . . 10.0 110.556 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -73.34 -30.82 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.93 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.45 -24.51 59.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 10.0 112.259 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -104.76 -59.61 1.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -84.59 -23.08 29.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 10.0 111.726 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.33 25.24 57.55 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.562 -0.827 . . . . 10.0 113.129 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -85.22 121.36 73.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.11 126.13 21.37 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.859 2.372 . . . . 10.0 111.844 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.85 -25.47 52.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.184 2.59 . . . . 10.0 112.647 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.62 -37.17 82.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -97.5 5.46 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.052 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.3 112.96 20.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -128.72 108.55 10.56 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -97.36 126.94 42.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mm -111.47 128.04 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 10.0 108.801 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -106.76 88.57 2.78 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.47 49.5 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.599 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.1 -34.16 5.27 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.828 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.197 0.498 . . . . 10.0 110.475 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -80.49 141.83 34.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.4 130.54 34.62 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.334 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -77.32 164.54 25.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -76.43 -44.3 36.46 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.54 47.59 1.91 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.666 -0.778 . . . . 10.0 114.25 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -129.8 163.14 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -113.66 163.28 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.619 0.247 . . . . 10.0 111.276 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.22 -34.43 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -64.5 -26.71 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.76 -42.98 69.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 10.0 111.05 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -88.73 7.52 33.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.685 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 t30 59.04 47.53 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 10.0 112.332 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 62.2 mt -89.27 122.3 40.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.628 -0.879 . . . . 10.0 108.628 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -126.13 -123.2 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.136 0.493 . . . . 10.0 111.998 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -95.1 134.71 37.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.142 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 65.46 19.71 11.61 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -67.45 131.78 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -101.53 125.9 48.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.101 0.477 . . . . 10.0 111.758 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -108.19 134.5 50.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.15 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -98.81 112.16 24.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.507 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.1 114.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.81 158.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.469 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.015 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.901 0.381 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -85.91 108.32 18.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.881 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 pt -100.0 164.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.164 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -113.62 122.18 46.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.962 0.41 . . . . 10.0 111.542 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.68 122.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.755 -0.832 . . . . 10.0 108.755 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -118.64 148.98 42.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.276 0.56 . . . . 10.0 111.998 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.17 177.9 4.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.652 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.5 t -75.98 -13.67 60.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.915 0.388 . . . . 10.0 111.169 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.3 49.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.556 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -64.51 126.27 27.33 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -118.5 119.14 33.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.16 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 tt -119.46 146.34 24.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -99.8 142.08 31.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.26 134.55 42.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.463 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -102.1 98.27 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.865 0.364 . . . . 10.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 16.5 m -129.78 175.35 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.479 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -111.26 154.04 43.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.73 -26.99 68.24 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.55 2.167 . . . . 10.0 111.639 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.45 2.12 30.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.797 -0.638 . . . . 10.0 112.033 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 152.04 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.328 . . . . 10.0 110.53 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -89.32 162.37 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.174 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.63 -33.6 60.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.961 0.41 . . . . 10.0 109.927 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.88 -36.41 81.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.224 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -40.06 70.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.94 -41.67 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' E' ' 52' ' ' ASP . 77.7 mttt -58.46 -37.94 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.776 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.44 95.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.363 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -67.82 -32.98 73.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.866 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.46 -36.86 78.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -73.5 -32.33 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.844 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.22 -33.55 69.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.577 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -88.09 -45.79 9.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -97.29 -65.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 10.0 111.678 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.92 -13.08 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.062 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.2 124.89 82.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.423 0.289 . . . . 10.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -59.01 134.44 59.94 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.691 2.26 . . . . 10.0 111.591 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -53.88 -36.51 83.44 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.592 2.861 . . . . 10.0 113.942 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.05 -11.17 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 10.0 111.585 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.5 3.53 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.788 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -99.14 135.67 40.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.918 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -127.52 98.71 5.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 74.9 mt -88.02 117.82 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.453 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mt -109.37 126.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.125 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -127.13 123.51 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 18.55 10.65 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.838 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -5.64 43.1 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.409 -0.9 . . . . 10.0 113.696 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -124.93 138.96 54.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.09 0.445 . . . . 10.0 111.949 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.32 132.57 45.88 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 24.0 mt -77.06 127.78 33.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.93 0.395 . . . . 10.0 110.968 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.53 134.11 45.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.816 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' HZ3' ' E' ' 27' ' ' LYS . 0.8 OUTLIER -54.12 -46.09 72.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.37 45.62 3.27 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.101 -0.571 . . . . 10.0 113.924 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -146.09 166.17 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 39.3 p -105.44 178.05 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.693 0.282 . . . . 10.0 111.123 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.47 -39.18 67.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 10.0 110.699 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 6.7 m -65.58 -20.96 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.91 -36.27 78.85 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.99 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -104.63 21.57 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.589 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p30 46.69 44.5 13.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.339 -0.846 . . . . 10.0 113.215 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -70.92 116.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.331 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -90.79 179.52 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.092 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.39 139.14 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.446 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 69.41 34.19 2.94 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 59.5 m -84.62 157.15 21.26 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.745 0.307 . . . . 10.0 111.064 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -109.36 129.44 55.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 10.0 111.911 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.76 131.72 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.923 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.42 112.65 24.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.31 122.92 43.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.115 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.74 170.56 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.64 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.15 122.57 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.527 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.372 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.417 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.53 121.17 27.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.5 pt -114.3 151.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.049 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -107.79 130.93 54.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.856 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.7 114.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.966 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.38 129.0 47.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.181 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.23 -171.93 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.526 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.97 -14.95 63.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.855 0.36 . . . . 10.0 111.491 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -132.82 0.27 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.345 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.84 -12.86 15.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.681 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.96 132.87 54.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.509 . . . . 10.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -135.03 116.62 14.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -100.15 169.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.949 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -128.26 136.29 50.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.706 0.288 . . . . 10.0 111.011 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.89 122.54 33.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.202 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 m -134.92 175.96 9.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 10.0 111.007 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -114.06 150.38 43.48 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.4 -34.52 94.63 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.422 2.081 . . . . 10.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -96.54 22.75 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.16 136.81 38.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.63 144.49 33.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 mm -56.66 -39.5 63.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 10.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -61.81 -34.8 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.85 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -73.1 -39.34 65.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.61 -41.23 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.435 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.86 -39.9 82.71 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.103 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.07 89.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.17 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.32 -42.35 95.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.208 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.76 -37.2 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.212 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -64.02 -43.84 94.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.525 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.75 -32.97 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.451 . . . . 10.0 110.936 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.25 -53.57 8.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.821 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.6 -72.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.84 -1.27 1.08 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.544 -0.836 . . . . 10.0 113.142 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -83.02 123.58 77.48 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -59.91 145.85 97.27 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.882 2.388 . . . . 10.0 112.489 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.1 -27.18 84.29 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.389 2.726 . . . . 10.0 113.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -18.05 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 10.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -105.56 3.39 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.39 . . . . 10.0 110.727 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.88 109.69 21.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.669 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -97.95 92.49 5.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.16 112.69 19.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.011 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.24 123.61 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.533 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -126.66 111.69 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.732 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.34 23.31 10.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.668 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.46 -5.51 77.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.538 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -105.85 135.91 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.08 137.04 38.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.416 . . . . 10.0 110.61 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -88.73 105.09 17.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.828 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.02 140.87 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.908 0.385 . . . . 10.0 111.283 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -55.78 -37.41 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 10.0 112.46 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.01 11.39 11.57 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 114.513 0.565 . . . . 10.0 114.513 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -120.81 159.06 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.196 0.498 . . . . 10.0 110.45 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 p -103.46 169.62 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.346 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.65 -28.74 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.009 0.433 . . . . 10.0 111.836 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -19.74 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.62 -28.06 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 10.0 111.545 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.0 17.1 19.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.897 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 56.62 48.64 16.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.683 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.92 126.89 43.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.31 -162.45 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.904 0.383 . . . . 10.0 110.606 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -74.61 152.87 39.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.07 0.26 3.34 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.506 0.504 . . . . 10.0 112.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -77.11 132.48 38.88 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.213 0.53 . . . . 10.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m -101.42 134.7 44.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.859 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.9 150.82 38.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -106.05 131.48 53.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.148 0.499 . . . . 10.0 112.152 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 tp -106.74 97.58 7.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.217 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.74 163.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.871 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.18 139.03 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -178.895 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.17 0.51 . . . . 10.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -81.53 138.21 35.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -122.82 164.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.134 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.77 131.6 56.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.383 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.83 127.82 75.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 10.0 110.561 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -94.58 124.83 38.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.084 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -77.02 179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -72.93 -18.83 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 10.0 110.022 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -30.06 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.659 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.45 -5.01 10.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 135.72 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 10.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -105.45 101.99 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.964 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -92.4 141.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.897 0.38 . . . . 10.0 111.204 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.56 135.28 46.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.111 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -147.49 140.64 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.925 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.73 128.82 40.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.76 -177.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.066 0.46 . . . . 10.0 110.936 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -130.94 142.88 47.19 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.59 -32.12 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.603 2.202 . . . . 10.0 112.684 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.27 3.39 27.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.94 134.41 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 10.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.47 153.0 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.065 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -54.9 -37.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 10.0 111.602 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.361 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -68.7 -38.18 80.09 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -42.56 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.631 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.1 -40.09 92.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.709 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.14 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.749 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.49 -37.23 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.439 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.42 -35.14 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.285 0.564 . . . . 10.0 109.748 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.05 -21.75 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.98 -33.68 22.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.402 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -89.03 -50.76 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -96.18 -44.72 7.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 10.0 110.986 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 21.98 11.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.445 -0.883 . . . . 10.0 112.947 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -81.97 125.62 77.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -54.03 124.44 15.94 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.885 2.39 . . . . 10.0 111.653 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.31 -26.05 59.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.204 2.603 . . . . 10.0 112.335 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.02 -39.34 93.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.453 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.66 24.6 5.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.998 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -106.52 115.82 30.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.978 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -122.29 110.78 16.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.73 123.25 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.01 120.13 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -115.09 113.17 23.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.746 0.308 . . . . 10.0 111.388 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.68 15.34 8.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.49 19.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.467 -0.873 . . . . 10.0 113.565 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 138.13 36.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 10.0 111.792 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -95.68 133.16 40.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.76 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.07 141.67 38.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.999 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.04 -48.83 75.25 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.45 57.45 4.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.458 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.84 157.04 45.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -103.23 173.89 6.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.47 -29.83 65.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.004 0.43 . . . . 10.0 110.825 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -24.26 65.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.075 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.71 -38.87 89.46 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.456 0.646 . . . . 10.0 110.052 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.52 8.91 37.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.114 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 56.1 44.1 25.82 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.484 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.8 119.53 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.34 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -103.4 -168.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.35 145.0 44.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.063 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 78.22 1.57 2.72 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.927 0.767 . . . . 10.0 113.058 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -59.35 123.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 10.0 110.482 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -93.91 109.33 21.05 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.607 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -97.71 147.88 23.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.9 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -108.97 122.67 47.74 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.051 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 112.29 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 28.5 m -104.69 -175.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.154 0.502 . . . . 10.0 111.569 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.625 -179.498 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.064 0.459 . . . . 10.0 110.429 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -76.52 114.5 15.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.828 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.66 159.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.989 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -109.21 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.9 122.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -122.15 145.86 47.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 10.0 111.788 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -106.71 176.5 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.673 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -20.48 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -84.62 -8.59 58.83 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.952 0.406 . . . . 10.0 111.474 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.68 56.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.089 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -67.57 123.66 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 11.2 m -117.1 129.65 56.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.866 0.365 . . . . 10.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -123.97 135.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -98.93 135.71 39.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.056 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -137.33 131.89 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -89.13 96.73 10.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.27 149.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.887 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -85.32 145.81 43.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.87 -26.67 82.98 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.801 2.334 . . . . 10.0 112.279 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -87.21 -0.8 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.902 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -77.49 144.19 37.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 10.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 15.3 p -89.64 170.03 10.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.8 -36.59 61.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.845 0.355 . . . . 10.0 110.367 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.34 -37.73 78.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.948 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -69.52 -41.78 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.5 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.44 -47.15 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.87 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -60.2 -39.68 87.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.831 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.69 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.585 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.543 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.88 -33.7 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.185 0.517 . . . . 10.0 110.457 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -71.49 -22.12 61.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.539 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -87.0 -47.06 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.094 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -73.84 -50.8 18.66 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.81 -40.93 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.05 -1.98 31.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.452 -0.88 . . . . 10.0 112.869 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.45 122.16 86.36 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.21 144.28 98.81 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.679 2.253 . . . . 10.0 111.252 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.73 -33.54 96.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.028 2.485 . . . . 10.0 112.003 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.04 -17.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.765 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -103.82 4.24 34.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 10.0 110.055 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.869 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -127.73 109.18 11.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.004 -1.11 . . . . 10.0 108.004 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.01 123.54 34.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.085 0.469 . . . . 10.0 111.835 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.61 128.61 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.677 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -136.08 120.65 18.25 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.54 16.92 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.762 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.95 -5.21 68.7 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -104.54 147.23 27.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.671 0.272 . . . . 10.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.04 126.25 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 38.0 mt -81.03 110.71 16.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.812 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.99 135.65 52.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.21 -42.45 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.94 38.21 1.74 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.851 0.7 . . . . 10.0 114.851 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -141.09 157.8 44.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.317 0.559 . . . . 10.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -93.0 -178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.88 -41.94 74.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.1 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -66.22 -21.59 66.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -34.21 73.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.011 0.434 . . . . 10.0 110.763 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -109.99 18.94 19.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.041 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p30 47.59 38.62 8.38 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 53.4 mt -73.53 120.77 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.635 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -98.24 -177.59 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.763 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -73.57 139.95 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.672 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 73.69 17.94 3.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.75 0.656 . . . . 10.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 26.9 m -81.81 160.9 23.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.355 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 32.6 m -103.78 126.78 51.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.161 0.505 . . . . 10.0 112.159 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 73.9 mt -109.51 123.11 48.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.39 114.79 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.831 0.348 . . . . 10.0 110.875 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 tp -108.23 122.42 46.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.61 175.84 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.33 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tt -83.36 124.9 31.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 10.0 111.032 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.196 179.681 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.685 0.278 . . . . 10.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -85.83 130.62 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -122.39 159.63 25.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.54 126.88 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.766 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -116.32 123.08 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -104.2 141.84 35.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.831 0.348 . . . . 10.0 111.428 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -177.94 4.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.01 -12.61 52.3 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -92.53 -24.9 18.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.19 0.519 . . . . 10.0 110.463 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.33 -9.61 26.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.599 -0.81 . . . . 10.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -58.41 133.17 55.52 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 118.96 37.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.515 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.01 143.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.961 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -95.39 142.66 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -141.22 148.97 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.179 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.13 114.93 29.36 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.21 169.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.878 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -110.33 154.41 42.94 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.399 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.57 -28.14 86.7 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.129 1.886 . . . . 10.0 111.255 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.94 5.67 43.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.567 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.22 134.13 45.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 10.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 146.91 29.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.026 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -53.68 -41.09 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.55 -34.86 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -73.11 -36.22 66.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.99 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.32 -41.43 96.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.12 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.65 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.673 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -37.34 85.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.927 0.394 . . . . 10.0 110.904 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.14 -34.72 45.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.322 0.582 . . . . 10.0 109.705 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.46 -31.38 70.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.542 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -26.09 45.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.703 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -92.69 -61.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 10.0 111.727 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -86.02 -38.5 17.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.664 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.42 21.4 11.58 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.445 -0.884 . . . . 10.0 112.629 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -87.0 121.6 71.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -55.08 133.88 60.6 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.031 2.488 . . . . 10.0 111.84 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.34 -31.53 91.28 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 10.0 113.01 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -79.18 -14.79 58.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.367 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.4 0.96 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.483 0.659 . . . . 10.0 109.503 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -94.24 127.03 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.522 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -116.8 89.23 3.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.95 121.77 23.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.493 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.84 131.61 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.277 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' B' ' 47' ' ' GLY . 71.2 t80 -123.56 118.36 27.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.774 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.34 -40.6 0.46 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 162.76 -3.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 153.68 21.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -91.21 133.25 35.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -81.33 134.22 35.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.686 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -83.48 138.59 33.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.568 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.64 -46.53 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.672 -0.695 . . . . 10.0 112.737 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 30.75 3.17 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.985 -0.626 . . . . 10.0 114.12 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -124.81 163.79 21.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.418 -0.46 . . . . 10.0 110.644 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 p -107.68 169.78 8.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.709 0.29 . . . . 10.0 111.091 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.42 -33.44 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 10.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -25.82 67.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.669 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.96 -35.71 81.57 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.267 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -101.72 6.13 41.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.993 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.75 42.53 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.37 -0.832 . . . . 10.0 111.989 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.82 126.58 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.67 -0.863 . . . . 10.0 108.67 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -112.29 -168.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -68.93 140.3 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.098 -0.955 . . . . 10.0 112.015 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.58 15.21 8.7 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.26 116.53 17.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -81.15 122.12 26.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.028 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -114.56 160.83 18.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -114.4 126.35 54.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.1 tp -106.49 94.47 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.149 -0.932 . . . . 10.0 108.972 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 m -90.98 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 tp -77.53 120.19 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.458 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.945 0.402 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.34 140.27 33.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.679 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -115.05 162.51 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.888 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.93 121.33 43.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 10.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.36 110.61 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.792 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -92.15 112.33 24.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 60.8 p -80.29 -179.1 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 10.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.97 -32.0 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.775 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -17.67 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.621 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -7.82 45.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.58 134.19 49.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -117.43 110.16 17.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 pt -103.81 155.13 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 135.94 44.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.505 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -131.4 133.48 45.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -82.9 123.44 29.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -134.48 177.66 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.161 0.505 . . . . 10.0 111.747 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -127.59 158.2 70.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.147 -0.933 . . . . 10.0 108.934 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.46 -27.37 82.27 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.195 1.93 . . . . 10.0 111.02 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -4.11 59.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.788 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.0 137.89 56.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.782 0.325 . . . . 10.0 110.73 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -95.31 158.25 15.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -56.8 -38.71 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.79 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.0 -45.79 91.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -64.95 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.416 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.29 -46.2 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.37 -39.37 83.09 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.428 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.593 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -67.06 -36.32 81.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.142 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.99 -38.44 79.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.111 0.481 . . . . 10.0 109.837 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.29 -25.82 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.4 -23.14 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.408 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -105.44 -55.52 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -93.38 -12.28 30.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.43 28.65 69.3 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.596 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.7 119.91 70.08 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.52 127.04 23.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.862 2.374 . . . . 10.0 111.894 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.29 -23.89 71.84 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.364 2.709 . . . . 10.0 112.08 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.19 -40.22 89.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.274 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -95.38 -0.59 52.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.422 . . . . 10.0 110.981 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.35 135.06 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.224 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -143.26 108.72 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.636 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.29 128.71 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 10.0 112.319 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -120.0 131.91 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -134.87 117.6 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.08 25.52 14.8 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.703 0.627 . . . . 10.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.81 -29.13 11.02 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.745 -0.741 . . . . 10.0 113.44 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 137.51 34.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.027 0.413 . . . . 10.0 110.564 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -79.47 124.49 28.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.087 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.8 127.01 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.433 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -73.23 143.71 47.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.755 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.54 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.908 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 56.12 5.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.743 0.306 . . . . 10.0 110.733 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -101.05 167.28 10.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.784 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.69 -32.38 74.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 10.0 110.647 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -67.72 -24.67 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.427 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -67.08 -41.76 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 10.0 110.758 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.11 10.28 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.984 -0.553 . . . . 10.0 112.096 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 60' ' ' ASN . . . . . 0.441 ' ND2' HE21 ' D' ' 62' ' ' GLN . 5.9 t30 54.68 41.37 31.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.316 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -75.02 118.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 10.0 110.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.441 HE21 ' ND2' ' D' ' 60' ' ' ASN . 73.1 mm-40 -101.74 -175.69 2.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.726 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.69 141.28 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.407 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 78.56 1.99 2.6 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.148 0.795 . . . . 10.0 113.148 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -68.18 139.53 56.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 10.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -104.2 124.44 49.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.258 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.9 134.64 46.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.577 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -96.8 128.44 43.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 10.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.3 114.57 28.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.69 168.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.201 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 39.7 tp . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.974 0.416 . . . . 10.0 111.517 -179.232 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.0 ttp . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.847 0.356 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -87.9 132.07 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.038 0.447 . . . . 10.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -118.8 163.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.989 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -120.09 112.85 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.752 0.31 . . . . 10.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.26 119.97 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.138 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -107.17 171.55 7.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 10.0 111.152 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -136.42 169.82 17.06 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -73.04 -4.64 33.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 10.0 111.45 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -97.69 -4.7 36.76 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.123 0.487 . . . . 10.0 110.259 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -22.21 41.16 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.275 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -56.81 131.82 50.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.158 0.504 . . . . 10.0 112.088 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -122.82 122.91 39.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.57 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -115.0 137.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.014 0.435 . . . . 10.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.29 137.89 32.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.012 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -143.46 149.5 37.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.593 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -106.92 110.7 22.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 15.9 t -131.26 140.58 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.533 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.66 147.01 70.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.05 -27.88 86.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.605 2.203 . . . . 10.0 112.736 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.42 6.67 47.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.8 146.72 35.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.68 0.276 . . . . 10.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.49 152.42 22.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.144 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -55.34 -36.7 41.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.964 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.12 -38.08 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.233 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -77.57 -24.34 49.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.225 0.536 . . . . 10.0 110.137 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.87 -40.89 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' E' ' 52' ' ' ASP . 86.2 mttt -61.02 -38.67 86.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.433 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.02 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.052 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -72.34 -37.96 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.021 0.439 . . . . 10.0 110.56 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.21 -31.61 50.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.405 0.621 . . . . 10.0 109.94 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -74.6 -20.9 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.964 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.69 -47.58 11.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.506 . . . . 10.0 109.92 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.7 -78.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.82 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.98 -41.2 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.988 0.366 . . . . 10.0 111.988 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.76 9.89 31.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.537 -0.839 . . . . 10.0 112.385 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.04 119.42 77.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.1 140.22 82.82 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.809 2.34 . . . . 10.0 112.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.64 -25.2 66.51 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.191 2.594 . . . . 10.0 112.054 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.49 -27.41 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.088 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -108.48 8.92 27.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -93.77 126.24 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.987 0.365 . . . . 10.0 111.987 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -138.34 104.26 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.462 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.36 135.02 37.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 10.0 112.006 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.09 124.6 69.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.293 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -118.34 106.66 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.94 32.68 19.97 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -16.66 60.67 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.746 0.308 . . . . 10.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -69.88 138.84 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -86.89 124.27 32.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.984 0.421 . . . . 10.0 111.753 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.12 140.04 29.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.98 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 52' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' E' ' 27' ' ' LYS . 1.4 m-20 -58.6 -30.76 67.46 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.72 8.6 48.46 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.908 1.123 . . . . 10.0 115.908 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -123.42 168.23 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.063 0.932 . . . . 10.0 112.099 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -107.46 173.12 6.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.682 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -35.52 74.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.002 0.43 . . . . 10.0 111.273 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -67.3 -24.24 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.368 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -75.04 -4.18 36.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.416 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -127.82 15.13 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 p30 47.75 36.58 5.89 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.72 1.007 . . . . 10.0 113.72 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.92 129.66 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.965 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -105.96 -169.22 1.55 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.95 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -74.19 135.79 42.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.548 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 69.1 10.55 7.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -64.19 135.61 56.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.727 0.299 . . . . 10.0 110.311 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -87.93 130.38 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.514 . . . . 10.0 112.327 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 mt -117.77 151.79 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.413 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -111.21 120.1 41.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.657 0.265 . . . . 10.0 110.56 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -104.14 113.06 26.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.077 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.52 -177.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.213 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 tp -82.23 131.23 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 120.967 0.413 . . . . 10.0 111.237 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.863 0.363 . . . . 10.0 110.945 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -89.91 136.9 32.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.38 151.56 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.835 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -103.83 134.24 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.581 0.229 . . . . 10.0 110.483 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -118.06 112.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.63 140.03 30.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.873 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -87.67 -102.5 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -143.53 -47.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -69.2 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -21.96 0.2 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.4 -0.905 . . . . 10.0 112.711 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -56.74 121.48 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 10.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -120.51 122.02 39.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.874 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -102.1 150.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.11 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -117.81 124.19 47.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 110.699 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -126.88 139.96 52.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -92.41 129.0 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.73 171.76 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -97.7 155.17 37.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.81 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.07 -35.53 98.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.498 2.132 . . . . 10.0 112.497 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 21.49 10.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.08 132.21 42.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 149.48 31.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.383 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.27 -38.73 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.257 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.96 -27.81 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 10.0 111.097 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -77.93 -40.59 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.52 -41.8 91.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.251 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.45 -36.31 77.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.755 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.23 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.62 -35.84 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 10.0 109.71 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.55 -32.54 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.843 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -69.94 -29.15 66.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.306 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -54.69 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.729 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -76.13 -60.94 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -73.45 -33.53 64.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.05 35.82 14.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.349 -0.929 . . . . 10.0 112.246 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.23 123.36 37.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.83 126.78 23.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 10.0 112.288 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -59.11 -28.15 87.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.462 2.775 . . . . 10.0 112.437 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -69.25 -19.59 63.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.47 8.23 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.578 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.0 117.3 29.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -111.21 99.47 8.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.8 121.47 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.834 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.5 mt -120.21 138.48 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.634 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -153.95 136.64 15.22 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.65 4.42 3.37 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.4 1.08 50.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -123.13 159.2 29.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.713 0.292 . . . . 10.0 111.014 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.7 144.72 26.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.611 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.3 mt -94.69 118.73 32.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -75.74 140.4 42.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.385 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.83 -44.16 70.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.822 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.07 9.72 37.74 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 114.782 0.673 . . . . 10.0 114.782 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -104.47 155.16 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.497 0.649 . . . . 10.0 110.166 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -98.97 166.09 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.04 -29.59 70.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.18 0.514 . . . . 10.0 110.409 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -23.44 61.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.901 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.54 -37.14 84.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.134 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -97.13 -3.17 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.401 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 t30 64.48 57.0 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.64 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.45 132.83 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.383 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -102.09 174.66 5.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.966 0.412 . . . . 10.0 111.836 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.4 ttp-105 -68.2 144.04 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.314 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 66.97 44.62 1.95 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.795 0.684 . . . . 10.0 112.798 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -107.56 137.31 45.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -98.44 119.36 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 10.0 110.641 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -109.47 156.96 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.766 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -102.69 128.79 49.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.878 0.371 . . . . 10.0 111.433 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.26 109.3 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.868 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.03 159.37 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.155 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -84.02 134.34 34.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -106.16 87.28 2.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 10.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.9 tp -88.28 141.86 28.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.178 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -114.42 98.58 6.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.976 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.8 -108.74 3.24 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.31 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.404 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.753 0.311 . . . . 10.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -109.46 128.88 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.508 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -112.82 155.99 13.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.424 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -115.81 117.38 30.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.84 125.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.812 0.339 . . . . 10.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -92.55 113.66 25.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.291 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.6 p -74.87 176.43 7.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 10.0 111.182 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.77 -20.84 61.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.201 0.524 . . . . 10.0 110.223 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -10.75 58.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.993 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.1 19.71 38.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.863 -0.684 . . . . 10.0 111.479 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.2 128.05 43.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.49 101.12 12.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.205 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 pt -90.82 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.347 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.98 126.92 51.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.695 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -121.29 157.69 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.863 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -126.63 110.6 13.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.205 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.43 -176.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.965 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -107.86 154.64 40.91 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.34 -27.54 81.59 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 10.0 111.485 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 1.46 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.286 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.13 142.56 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 10.0 110.823 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.61 31.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.63 -46.84 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.25 -21.99 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -71.08 -39.23 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.055 0.455 . . . . 10.0 110.212 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -71.92 -25.71 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.383 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.02 -37.16 76.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.715 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.404 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.84 -28.48 66.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.822 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 16.1 mt -70.6 -33.08 51.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -73.98 -33.2 63.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.799 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.45 -23.52 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.565 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -100.89 -49.98 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -99.28 -44.81 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.27 15.96 11.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.456 -0.878 . . . . 10.0 113.554 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.9 126.73 67.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.69 131.48 37.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.748 2.299 . . . . 10.0 111.845 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.56 -29.97 72.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.263 2.642 . . . . 10.0 112.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -72.58 -20.66 61.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.53 -10.38 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.979 0.418 . . . . 10.0 110.397 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -83.18 110.46 18.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.052 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -109.75 102.15 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -91.85 124.18 35.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.451 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 38.6 mt -124.83 125.96 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.231 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -115.6 116.18 27.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.734 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.21 44.19 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.145 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.69 -10.71 55.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.611 -0.804 . . . . 10.0 114.364 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -112.53 124.66 53.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.703 0.751 . . . . 10.0 111.707 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.86 143.21 58.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -94.29 125.02 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.787 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.41 127.99 34.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.95 -34.03 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -4.39 90.47 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.067 -0.587 . . . . 10.0 114.296 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -92.0 172.64 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.234 0.517 . . . . 10.0 110.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -115.22 176.88 4.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.148 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.69 -29.43 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.969 0.414 . . . . 10.0 110.02 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -33.62 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.996 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -64.32 -26.97 68.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.08 9.31 20.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 10.0 112.111 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 50.79 58.95 4.97 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.499 0.666 . . . . 10.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 68.6 mt -99.87 127.0 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -120.96 -166.89 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.206 0.527 . . . . 10.0 111.849 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -67.96 141.78 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 78.5 4.43 2.6 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -71.93 142.11 49.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -107.62 131.25 54.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.693 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.37 135.29 49.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.281 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -90.63 109.45 20.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.931 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 57.3 tp -96.47 109.4 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 10.0 109.925 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.09 170.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.025 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -75.98 144.41 40.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.002 0.43 . . . . 10.0 110.922 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -81.59 71.76 8.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 10.0 110.286 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.89 117.27 25.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.558 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -110.03 179.4 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.947 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.08 113.27 5.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.061 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.216 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.039 0.447 . . . . 10.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -85.86 123.98 31.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -116.31 156.33 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 10.0 111.22 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.83 113.44 20.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.342 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -104.26 134.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -123.0 141.57 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.507 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -99.58 172.41 7.31 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.326 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.27 -25.12 67.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 10.0 111.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -82.87 -3.68 57.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.56 -8.85 68.98 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.694 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.12 123.79 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.934 0.397 . . . . 10.0 110.616 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -107.31 146.45 31.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.6 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -144.42 133.75 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 10.0 110.782 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -93.8 128.59 40.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.04 153.34 47.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.64 97.85 7.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 t -121.18 137.98 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.415 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -70.22 147.9 95.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.75 -31.45 85.89 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.541 2.16 . . . . 10.0 111.885 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 21.64 8.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.669 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -91.75 148.19 22.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.651 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.15 154.94 22.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.069 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.02 -33.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.331 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -56.17 -44.65 79.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.209 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.65 -36.39 78.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.0 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.26 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.83 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . 0.462 ' HZ3' ' CG ' ' E' ' 52' ' ' ASP . 90.0 mttt -58.61 -39.9 81.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.023 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -68.45 -37.38 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.919 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.13 -33.93 66.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.999 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -70.71 -22.32 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.073 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -83.79 -48.23 10.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.601 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -76.33 -54.12 7.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -84.07 -44.49 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.43 41.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.645 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -82.17 123.17 79.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -59.13 139.82 92.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.427 2.085 . . . . 10.0 111.142 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -54.31 -33.51 76.32 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.09 2.527 . . . . 10.0 111.912 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 7.41 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.797 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -124.47 2.43 8.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -101.88 152.22 21.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.391 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 ttm-85 -146.7 102.94 3.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.65 131.1 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.031 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 64.8 mt -129.12 121.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.722 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.56 120.88 36.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.552 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.83 22.58 13.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.714 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.22 -3.5 76.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -105.4 128.41 53.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.795 0.331 . . . . 10.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -70.32 142.42 52.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.197 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -99.41 122.08 42.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.712 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -78.91 156.74 28.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.279 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . 0.462 ' CG ' ' HZ3' ' E' ' 27' ' ' LYS . 7.4 m-20 -67.01 -54.13 24.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.77 50.35 3.27 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 114.908 0.723 . . . . 10.0 114.908 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -144.94 164.9 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.991 0.395 . . . . 10.0 110.072 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.92 160.37 15.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.6 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.81 -27.97 69.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.079 0.466 . . . . 10.0 110.975 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.953 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -73.4 -18.52 61.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.126 0.488 . . . . 10.0 110.644 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.08 10.23 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p30 44.66 51.43 8.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -84.84 107.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -78.7 179.29 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ttpp -71.74 138.67 48.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 68.78 28.24 5.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.8 0.667 . . . . 10.0 112.8 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -88.57 126.15 35.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 117.05 8.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.03 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.61 131.34 52.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -97.23 133.79 41.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.792 0.33 . . . . 10.0 111.694 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 34.1 tp -121.23 116.13 24.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.499 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 13.8 m -115.33 -170.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.75 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -86.15 150.72 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.255 0.55 . . . . 10.0 111.768 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.27 112.98 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.611 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.742 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.992 0.425 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -105.27 125.09 50.59 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.295 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -104.55 151.6 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -103.62 125.3 50.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.126 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -120.93 123.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -108.89 131.03 55.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.955 0.407 . . . . 10.0 111.02 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -86.14 -167.01 1.7 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -10.29 59.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.727 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -94.36 -4.03 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 10.0 111.199 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 -5.63 69.42 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.307 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -71.28 134.69 46.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.586 0.231 . . . . 10.0 110.635 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -117.2 121.58 41.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.764 0.316 . . . . 10.0 110.471 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -109.55 154.26 11.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.287 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -124.79 134.45 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 10.0 110.699 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.8 152.23 48.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.76 0.314 . . . . 10.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.41 123.58 31.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.529 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.64 156.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.977 0.417 . . . . 10.0 111.628 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.95 155.92 35.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.983 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.79 -24.65 74.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.564 2.176 . . . . 10.0 112.062 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -98.39 2.65 48.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.62 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -64.77 125.93 26.33 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -77.48 158.16 30.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.611 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.5 mm -56.92 -41.98 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.092 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -33.48 75.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.161 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.99 -41.01 91.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.44 -42.95 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.58 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.83 -41.63 87.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.56 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.33 90.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.417 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -68.9 -39.17 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -66.61 -36.9 83.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.911 0.386 . . . . 10.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.41 -13.61 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.246 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -101.93 -58.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.757 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -90.34 -38.6 13.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.823 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -22.24 13.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.704 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.82 122.67 63.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 122.319 0.248 . . . . 10.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.15 139.19 89.31 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.928 2.419 . . . . 10.0 111.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 -30.12 91.06 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.208 2.605 . . . . 10.0 113.594 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -71.75 -25.08 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 111.584 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.54 4.7 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.957 0.408 . . . . 10.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -90.41 155.32 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -144.3 103.46 3.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.48 123.78 34.45 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.422 -0.353 . . . . 10.0 111.497 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -125.33 135.11 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.726 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -138.09 127.22 24.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.375 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.01 16.06 7.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.176 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.11 -8.68 65.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.598 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.9 156.73 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.781 -0.246 . . . . 10.0 110.715 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.32 146.52 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.33 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.8 mt -89.58 111.57 22.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.772 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -75.68 135.57 40.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.38 -19.64 63.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.019 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.94 5.15 78.97 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.358 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -117.1 154.28 31.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.7 p -94.96 172.35 8.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.61 -32.18 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 10.0 110.496 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -16.57 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.013 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.0 -21.6 61.54 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.025 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.99 9.49 18.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 61.45 38.94 15.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.685 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.19 119.07 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -111.77 -159.87 0.7 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.366 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -82.74 151.96 25.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.29 1.57 3.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.564 0.54 . . . . 10.0 112.313 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -68.66 130.03 41.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.078 0.466 . . . . 10.0 110.377 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.8 m -102.11 130.4 48.7 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.087 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.18 160.43 20.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.918 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -104.88 142.38 34.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 10.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.07 116.69 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.189 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.81 175.05 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.048 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.7 160.16 19.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.956 0.407 . . . . 10.0 111.28 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -87.59 125.89 34.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.338 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pp -90.97 164.52 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.616 -0.266 . . . . 10.0 110.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -89.71 117.55 28.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.068 0.461 . . . . 10.0 111.461 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.62 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 10.0 111.982 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.456 ' C ' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 10.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.791 0.329 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.71 138.11 36.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.073 0.463 . . . . 10.0 111.718 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -127.59 177.21 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -119.6 132.04 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.792 0.329 . . . . 10.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.98 131.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -98.81 130.02 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -81.21 -178.07 6.75 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.97 -18.44 63.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.009 0.433 . . . . 10.0 110.134 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.49 -15.05 29.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.28 50.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.753 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.48 138.11 50.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -101.77 98.96 9.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 44.6 pt -92.41 146.91 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.113 -0.329 . . . . 10.0 110.113 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.03 117.68 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.944 0.402 . . . . 10.0 110.469 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.41 139.96 50.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -104.07 113.08 26.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.597 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.47 169.13 21.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.434 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -101.03 153.44 37.73 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.76 -24.46 75.82 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.461 2.107 . . . . 10.0 111.968 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.92 3.94 51.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.27 153.19 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.8 158.22 15.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.785 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -60.48 -39.75 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.95 0.405 . . . . 10.0 110.274 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.922 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -70.67 -40.19 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.014 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.31 -38.4 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . 0.412 ' HZ1' ' CG ' ' D' ' 52' ' ' ASP . 96.8 mttt -58.5 -40.11 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.482 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.48 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.031 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.482 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.32 -34.39 65.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -74.37 -27.47 60.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.311 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -77.8 -43.14 31.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -81.19 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.55 -47.76 9.57 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.614 0.228 . . . . 10.0 111.614 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.27 12.45 12.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.418 -0.896 . . . . 10.0 112.601 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.33 121.02 83.26 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.1 129.73 23.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.821 2.347 . . . . 10.0 111.422 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.39 -25.24 47.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.337 2.692 . . . . 10.0 112.594 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.41 -34.28 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.491 . . . . 10.0 110.644 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.53 9.51 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -95.84 150.24 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.136 0.493 . . . . 10.0 111.996 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -166.12 97.59 0.62 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.096 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 66.2 mt -91.32 136.3 33.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.921 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mm -114.91 134.14 58.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.151 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -128.12 123.14 33.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.675 -0.238 . . . . 10.0 110.391 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.11 -37.64 0.37 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.92 -8.76 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.69 -0.767 . . . . 10.0 112.689 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -115.21 155.22 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.848 0.356 . . . . 10.0 111.232 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.04 135.33 35.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.465 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -79.7 117.96 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.498 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.47 146.2 40.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' HZ1' ' D' ' 27' ' ' LYS . 6.8 m-20 -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.47 42.09 2.57 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.411 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -131.02 153.04 49.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -99.47 171.51 7.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 37.8 mt -66.58 -33.17 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.035 0.445 . . . . 10.0 110.219 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -23.73 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.679 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -37.02 77.44 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.286 0.565 . . . . 10.0 110.125 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.97 8.01 34.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.051 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 60.79 35.84 19.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.043 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.33 122.37 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -110.56 -166.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.282 0.563 . . . . 10.0 111.902 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -70.84 139.78 50.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.762 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 65.4 27.76 11.8 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -74.53 156.61 36.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 11.7 m -117.02 114.88 24.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.293 0.568 . . . . 10.0 111.355 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 89.2 mt -105.72 124.14 49.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.802 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -99.84 131.05 46.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.975 0.417 . . . . 10.0 110.88 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.52 131.63 37.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.022 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.0 154.81 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.67 133.43 48.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.826 0.346 . . . . 10.0 111.255 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -112.08 29.9 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.489 0.662 . . . . 10.0 109.857 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 18.7 tp -121.72 124.48 44.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.985 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -74.22 125.89 29.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.28 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.61 64.33 0.27 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.549 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.108 -0.568 . . . . 10.0 112.139 179.502 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.945 0.402 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -73.11 133.01 43.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 10.0 111.978 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -113.42 166.33 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.904 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -121.79 102.91 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.835 0.35 . . . . 10.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -95.13 122.27 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.092 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -120.28 163.36 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.115 0.483 . . . . 10.0 110.914 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -122.41 -166.81 1.47 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.02 -5.48 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 110.504 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 4.9 t -99.5 -20.33 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.836 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.9 -6.6 8.9 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.183 -1.008 . . . . 10.0 113.604 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . 0.456 ' HZ3' ' C ' ' B' ' 76' ' ' GLY . 11.6 mmtm -72.03 131.47 42.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.603 0.24 . . . . 10.0 111.029 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -131.96 131.01 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.298 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 tp -131.24 134.36 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.84 125.11 45.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.536 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.07 152.64 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.911 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -98.53 110.65 23.21 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -133.59 132.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.494 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.19 147.61 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.51 -29.91 85.57 Favored 'Trans proline' 0 N--CA 1.473 0.293 0 C-N-CA 122.776 2.317 . . . . 10.0 112.395 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 9.72 14.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.555 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -84.24 163.94 19.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.481 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -101.02 151.84 21.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.792 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.15 -41.16 68.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.248 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -58.06 -40.31 80.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.965 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -72.83 -35.01 67.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.49 -42.36 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -58.52 -39.32 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.308 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.68 84.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.567 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -63.83 -38.66 91.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.929 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.17 -34.13 64.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.508 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.69 -18.28 62.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.227 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.71 -29.3 36.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.772 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -97.8 -50.32 4.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.873 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.86 -52.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.44 -5.59 26.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.515 -0.85 . . . . 10.0 113.151 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.61 128.37 84.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.605 0.24 . . . . 10.0 110.546 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.23 145.73 93.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.04 2.494 . . . . 10.0 112.371 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.3 -27.68 68.15 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.353 2.702 . . . . 10.0 112.221 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -21.57 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.011 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -106.09 2.56 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.994 0.426 . . . . 10.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -96.93 118.0 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.798 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -117.11 98.06 6.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.12 131.31 35.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.949 -0.569 . . . . 10.0 112.464 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -131.12 127.63 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.116 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -116.37 109.53 17.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.717 0.294 . . . . 10.0 111.415 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.91 39.78 23.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.692 -0.685 . . . . 10.0 112.235 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 2.53 90.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.99 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -109.6 125.87 53.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.357 . . . . 10.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.2 138.55 57.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.394 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 43.6 mt -100.78 109.12 21.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.833 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.43 143.13 44.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.414 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.0 -47.43 80.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 36.54 2.35 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 115.279 0.871 . . . . 10.0 115.279 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -132.75 168.72 17.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.635 0.717 . . . . 10.0 110.888 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -105.64 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 10.0 111.219 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.99 -42.2 81.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 111.218 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -62.86 -22.02 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.773 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.93 -21.77 66.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 10.0 110.921 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -115.86 19.84 14.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 p30 49.0 40.58 17.35 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.62 134.98 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.476 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -107.83 -140.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.887 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.9 133.27 46.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.06 30.9 13.81 Favored 'General case' 0 C--O 1.231 0.085 0 O-C-N 123.566 0.541 . . . . 10.0 112.056 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -71.26 137.52 48.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.295 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -79.4 104.05 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 18.1 mt -101.25 131.3 47.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.451 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -96.31 128.62 43.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.81 0.338 . . . . 10.0 111.252 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.68 111.24 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 32.0 m -111.27 171.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.828 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 34.4 tp -84.48 127.15 33.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 10.0 111.433 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -86.36 132.83 33.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.445 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.01 0.433 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.23 123.14 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.267 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.18 151.2 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -112.02 122.45 47.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.903 0.383 . . . . 10.0 111.514 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.0 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.56 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -103.75 136.26 43.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.987 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.31 174.07 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.292 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -26.94 69.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -37.3 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.778 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.43 -21.26 4.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.586 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.49 116.04 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 10.0 111.561 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.96 116.61 32.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 pt -104.03 152.4 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.554 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -106.5 137.62 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.302 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -134.4 142.46 47.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.81 0.338 . . . . 10.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.81 116.18 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.36 171.44 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.354 . . . . 10.0 111.086 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.06 150.93 39.33 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.624 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.4 -27.77 85.85 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.398 2.066 . . . . 10.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.21 1.62 50.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.986 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -72.62 142.71 48.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.064 0.459 . . . . 10.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -90.7 160.21 15.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.106 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.4 -37.88 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.917 0.389 . . . . 10.0 110.185 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -64.05 -30.0 71.1 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.096 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.75 -42.69 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.83 -41.06 87.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.92 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -57.11 -43.99 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.917 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.47 98.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.312 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.43 -36.77 84.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.76 -34.35 67.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -71.46 -33.11 69.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.661 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.23 -25.28 62.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.924 0.392 . . . . 10.0 110.838 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -96.14 -53.24 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.893 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -91.92 -44.68 8.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.79 -9.03 32.07 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.538 -0.839 . . . . 10.0 113.244 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.89 125.84 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.518 0.199 . . . . 10.0 111.348 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.16 130.72 37.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.054 2.503 . . . . 10.0 111.827 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.58 -25.8 61.02 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 123.542 2.828 . . . . 10.0 114.25 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -75.83 -21.71 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.86 -8.69 25.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.89 0.376 . . . . 10.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.5 118.91 19.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.546 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -110.94 96.41 6.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.98 123.31 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.309 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -120.39 130.35 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.864 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -121.98 130.17 53.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.97 -67.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.853 0.721 . . . . 10.0 111.102 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 14.23 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.531 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.59 150.14 50.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.564 -0.374 . . . . 10.0 110.918 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.57 133.01 35.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.5 mt -74.55 126.32 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.03 138.01 43.78 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.98 -43.92 73.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.738 1.014 . . . . 10.0 113.738 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.35 20.18 15.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.782 -0.723 . . . . 10.0 114.671 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -110.17 156.94 19.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.617 0.708 . . . . 10.0 110.658 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 74.6 p -99.66 168.15 10.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.81 -33.95 75.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 10.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -22.64 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.69 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -71.17 -20.88 62.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -110.44 8.82 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 10.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.64 34.89 20.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -76.44 110.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -80.25 -168.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ttp-105 -86.84 146.92 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 60.47 35.63 20.27 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.786 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -95.98 126.44 41.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.686 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -86.14 109.54 18.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.333 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.09 154.34 17.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -106.61 124.96 50.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.109 0.481 . . . . 10.0 111.263 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -103.84 117.01 33.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.12 -177.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.5 tp -92.98 137.77 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.189 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -109.48 130.78 55.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.184 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.85 99.65 12.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -100.0 25.07 7.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.488 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.94 -176.61 15.11 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 10.0 111.24 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.198 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.068 0.461 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -84.4 133.39 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.939 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.4 163.62 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.259 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.28 127.55 54.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.896 0.379 . . . . 10.0 110.799 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 52.5 t -116.14 127.29 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.271 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.85 127.65 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.615 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -82.03 -179.36 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.09 -20.73 60.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.147 0.499 . . . . 10.0 109.938 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -22.66 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.43 17.12 12.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.917 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.437 ' HZ3' ' CD ' ' D' ' 34' ' ' GLU . 85.3 tttt -85.07 143.28 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -109.85 111.81 23.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.821 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.27 137.94 38.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.333 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -101.42 126.47 48.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.016 0.436 . . . . 10.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -123.35 138.96 54.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -105.67 112.12 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.65 -173.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.317 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -110.97 153.36 43.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.818 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.8 -32.68 93.12 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.304 2.003 . . . . 10.0 111.526 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.51 10.99 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.465 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.62 142.36 31.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.855 0.359 . . . . 10.0 111.432 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 155.35 27.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.085 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.76 -44.96 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.716 0.293 . . . . 10.0 111.226 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.908 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.21 -38.75 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.164 0.507 . . . . 10.0 109.785 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.96 -34.72 72.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -58.01 -34.53 70.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.165 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.21 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -69.44 -35.33 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 10.0 110.324 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.1 -34.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.65 -26.94 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.536 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -86.52 -43.18 12.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.334 -0.393 . . . . 10.0 111.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -70.96 -50.04 38.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.836 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . 0.437 ' CD ' ' HZ3' ' D' ' 11' ' ' LYS . 13.6 tp10 -98.42 -56.7 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.8 0.333 . . . . 10.0 111.352 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.52 -4.66 8.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.838 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.76 122.95 86.76 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.657 0.265 . . . . 10.0 110.761 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.51 136.89 66.04 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 123.055 2.503 . . . . 10.0 111.564 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.49 -32.51 53.3 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.577 2.851 . . . . 10.0 113.591 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.99 -29.74 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 10.0 111.468 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -94.09 4.57 53.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.458 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -98.15 145.42 26.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.936 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 27.7 ttp85 -156.96 102.35 1.99 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.943 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.9 mt -88.2 132.37 34.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.96 135.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.63 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -126.54 111.01 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.101 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.35 43.22 31.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.67 -16.84 43.49 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.966 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -95.64 147.0 24.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 117.108 0.454 . . . . 10.0 111.529 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -88.02 133.84 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.09 115.94 23.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.062 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.57 129.67 39.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.77 -25.66 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.926 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.78 10.6 64.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.267 -0.492 . . . . 10.0 113.983 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -115.17 166.41 11.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.26 0.53 . . . . 10.0 110.102 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -104.92 168.64 8.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.217 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.99 -32.93 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 10.0 109.932 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -27.36 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.596 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -64.76 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 10.0 111.483 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.28 0.07 47.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 60.1 t30 61.09 47.48 7.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 mt -88.24 111.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.97 -163.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.651 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -78.17 150.23 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 73.99 12.04 4.33 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -77.57 149.28 34.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.417 -0.216 . . . . 10.0 110.417 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 5.2 m -114.45 117.47 31.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.093 0.473 . . . . 10.0 111.816 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.83 149.46 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -126.57 148.33 49.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.7 -0.4 . . . . 10.0 111.747 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -115.94 152.13 17.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.03 119.05 6.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 10.0 111.632 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -94.55 -44.14 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.386 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 111.24 19.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.522 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.62 18.23 3.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.345 0.593 . . . . 10.0 111.071 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.72 175.73 51.01 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.54 -0.754 . . . . 10.0 112.674 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 121.218 -0.515 . . . . 10.0 113.202 -179.628 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.056 0.455 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -75.68 119.22 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.427 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -113.65 175.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.098 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.23 136.08 53.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 10.0 111.205 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 46.6 t -121.19 125.9 74.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -118.22 162.61 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 10.0 111.813 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -125.26 176.22 6.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.089 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.89 -23.75 62.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 10.0 110.061 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -31.58 58.89 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.49 -0.777 . . . . 10.0 110.329 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.67 -11.11 13.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 10.0 112.567 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -60.79 114.53 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.007 0.432 . . . . 10.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -103.97 146.32 28.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.366 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tp -142.47 154.66 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.265 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p -114.08 141.74 47.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.29 128.88 12.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.3 104.88 17.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.209 -0.664 . . . . 10.0 109.209 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 40.7 t -121.66 140.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.462 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.12 143.26 80.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.302 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.44 -23.79 64.63 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.695 2.263 . . . . 10.0 111.608 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 13.94 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.897 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.12 143.97 27.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.717 0.294 . . . . 10.0 110.969 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.81 160.11 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.751 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -57.99 -41.04 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.153 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.33 -29.32 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.975 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.55 -41.4 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.68 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.58 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.76 -41.38 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.598 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.75 92.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.229 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -62.32 -40.95 98.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.576 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.68 -38.09 79.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.13 0.49 . . . . 10.0 109.837 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.4 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.38 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.8 -25.44 59.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -89.71 -60.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.992 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.55 -49.7 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 5.19 13.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.434 -0.889 . . . . 10.0 112.299 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -83.88 123.51 75.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.4 141.63 89.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.894 2.396 . . . . 10.0 112.275 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.07 -33.55 95.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.374 2.716 . . . . 10.0 112.845 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -4.97 37.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.979 0.419 . . . . 10.0 111.756 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -108.81 4.99 24.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.019 0.438 . . . . 10.0 110.101 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -110.47 140.57 44.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.249 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -130.32 97.66 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.17 124.1 24.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.09 128.71 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.448 -0.797 . . . . 10.0 109.062 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -128.66 115.03 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.354 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.96 30.39 19.59 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.1 -9.16 78.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.642 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -96.57 127.86 42.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.663 0.268 . . . . 10.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -75.9 128.56 35.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -87.34 123.13 31.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 10.0 111.245 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -75.04 139.48 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.246 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.15 -42.48 77.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.69 0.996 . . . . 10.0 113.69 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.09 17.32 17.95 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 115.042 0.777 . . . . 10.0 115.042 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -114.7 165.47 12.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.59 0.695 . . . . 10.0 110.973 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.74 179.66 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 10.0 111.927 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.11 -36.88 72.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.939 0.4 . . . . 10.0 111.217 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.91 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.36 -40.45 82.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.087 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -106.53 20.04 19.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.715 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.32 39.2 4.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 31.7 mt -73.54 117.57 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.258 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -100.38 -164.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.096 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -77.81 157.13 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.003 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 61.48 28.52 17.83 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 21.1 m -89.77 161.52 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.219 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -117.42 118.93 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.457 . . . . 10.0 112.088 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -100.12 165.94 11.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.838 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.2 135.54 53.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.531 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -113.87 87.51 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.081 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.0 162.28 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.39 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 tp -77.84 132.84 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.641 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -102.47 134.16 46.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.582 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.025 -179.861 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.301 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.72 138.2 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.955 0.407 . . . . 10.0 111.222 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -124.96 167.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.779 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.35 129.21 56.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.551 0.215 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.75 114.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -113.77 141.63 47.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.5 p -96.15 -174.82 3.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.89 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.88 -24.26 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 10.0 110.525 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -75.41 -46.78 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.292 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.37 -23.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.317 -0.944 . . . . 10.0 112.831 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -52.98 125.29 16.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 10.0 111.969 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.52 122.42 38.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.516 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 pt -113.78 141.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.794 0.331 . . . . 10.0 111.084 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.23 122.72 41.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.759 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.29 144.43 50.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -92.65 125.56 37.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.725 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.73 164.17 15.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -104.72 146.02 31.83 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.07 -31.16 81.78 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.48 2.12 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.41 -5.0 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -68.33 133.04 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 10.0 110.451 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 154.24 35.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.655 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.72 -39.13 68.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.675 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -29.88 70.97 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.84 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.86 -38.19 67.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.77 -37.64 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.274 -0.876 . . . . 10.0 109.839 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -57.76 -36.71 72.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.472 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.81 92.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.578 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.63 -40.45 84.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.88 0.372 . . . . 10.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.22 -35.63 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.235 0.54 . . . . 10.0 109.647 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.31 -23.32 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.555 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.71 -42.67 15.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.531 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -77.3 -56.55 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -81.72 -52.64 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.456 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 -11.21 14.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.345 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 127.2 91.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 122.521 0.329 . . . . 10.0 110.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.85 133.65 42.83 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 10.0 112.307 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -55.79 -28.68 68.37 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.563 2.842 . . . . 10.0 113.195 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -25.35 66.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -106.57 3.17 26.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.876 0.37 . . . . 10.0 111.049 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -84.48 104.01 14.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.518 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -100.74 96.09 7.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.71 123.99 33.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -121.43 134.63 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -133.8 132.54 40.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.786 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.85 -67.53 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.759 0.662 . . . . 10.0 111.282 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.74 15.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.522 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -132.74 160.63 36.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 10.0 110.617 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -83.2 141.86 31.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.0 112.54 20.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.97 120.61 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.28 -32.03 55.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 -178.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.76 -1.32 77.56 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.853 -0.689 . . . . 10.0 113.562 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -105.08 165.46 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.0 0.4 . . . . 10.0 111.436 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.9 p -99.38 -179.57 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.238 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -73.29 -35.58 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.039 0.447 . . . . 10.0 110.021 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -23.9 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.021 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.81 -39.68 92.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -97.69 7.56 46.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.16 35.1 13.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.16 123.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.14 -1.059 . . . . 10.0 108.14 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -113.71 -162.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -73.28 143.15 47.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.792 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.27 20.65 12.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -85.14 130.17 34.66 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.0 m -91.19 125.06 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 10.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.77 150.03 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -107.77 128.77 54.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.241 0.543 . . . . 10.0 112.411 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -99.41 127.31 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.088 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.68 150.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.05 113.13 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -74.81 152.64 38.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.693 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.51 169.4 16.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.723 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -81.91 -45.46 15.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.89 79.17 0.54 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.155 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.415 ' CA ' ' HZ2' ' E' ' 11' ' ' LYS . . . . . . . . 0 C--N 1.332 0.332 0 CA-C-O 119.75 -0.472 . . . . 10.0 112.755 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.929 0.395 . . . . 10.0 110.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -123.33 129.66 51.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.966 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.62 160.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -115.2 113.1 23.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.478 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -99.36 130.89 47.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -109.66 112.81 25.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 10.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 50.5 p -75.99 176.49 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.36 -23.94 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 10.0 110.334 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -6.19 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.399 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.38 28.23 53.17 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.77 132.85 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.599 0.238 . . . . 10.0 110.387 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 110.08 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.242 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 51.7 mt -110.25 121.11 62.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.03 133.37 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.425 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 mt -134.02 138.07 45.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -87.42 121.19 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -137.18 168.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.265 0.555 . . . . 10.0 112.143 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -112.29 155.31 43.79 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.092 -0.958 . . . . 10.0 108.457 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.68 -33.29 93.45 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.13 1.887 . . . . 10.0 111.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.7 8.15 33.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.982 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.35 136.82 42.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.79 150.9 24.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.757 0.313 . . . . 10.0 111.743 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.89 -45.97 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.359 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.79 -24.71 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.188 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.28 -44.5 29.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.759 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.88 -32.7 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.189 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -57.03 -35.47 69.33 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.887 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.29 79.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.626 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.85 -37.8 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.91 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.859 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.12 -29.66 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.84 -28.99 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.577 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -90.53 -43.38 10.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.424 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.86 -83.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.29 -28.62 0.34 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.008 -1.092 . . . . 10.0 113.643 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.17 122.72 37.88 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 116.646 0.223 . . . . 10.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.65 137.81 79.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.242 2.628 . . . . 10.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -58.55 -25.17 73.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.286 2.657 . . . . 10.0 112.823 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.97 -40.52 95.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.013 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.25 -27.13 38.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.62 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.26 128.41 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.57 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -127.65 101.2 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.02 123.55 29.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.784 -0.643 . . . . 10.0 112.471 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 41.7 mm -118.11 129.3 74.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.414 -0.812 . . . . 10.0 108.976 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -107.82 88.31 2.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.709 0.29 . . . . 10.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.74 51.93 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 -45.9 1.33 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.608 -0.806 . . . . 10.0 114.507 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -87.45 140.75 29.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -82.98 141.1 32.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.887 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.68 142.86 32.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.961 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -82.02 147.76 28.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.52 -42.69 95.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.47 49.78 4.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.577 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -131.76 154.77 48.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.695 0.283 . . . . 10.0 110.535 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.57 173.83 7.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -79.88 -18.93 49.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -10.68 57.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 110.819 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.05 -56.45 6.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.495 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.56 9.88 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.739 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 64.33 60.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.345 0.593 . . . . 10.0 112.184 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -107.03 114.02 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -119.2 -155.72 0.62 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.818 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.9 142.02 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.57 0.224 . . . . 10.0 110.434 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 77.44 3.83 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.393 -0.821 . . . . 10.0 112.84 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -72.84 142.54 48.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -105.09 129.5 53.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.42 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.37 117.57 30.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -91.66 139.31 30.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.57 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 mt -104.52 143.52 32.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.506 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.13 178.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 tp -85.75 156.37 20.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.68 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -90.78 92.51 8.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -103.58 124.59 49.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.166 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -140.27 -178.3 5.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.395 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.11 -166.14 28.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.113 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.34 -0.933 . . . . 10.0 112.738 -179.488 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 42.3 ttp . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.836 0.35 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.28 119.63 29.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.445 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 pt -92.15 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.351 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -124.07 92.62 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 10.0 111.514 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.21 123.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -124.21 138.35 54.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.092 0.473 . . . . 10.0 111.844 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -100.96 159.49 15.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.287 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -69.32 -12.05 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.32 -10.68 59.0 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.83 0.347 . . . . 10.0 111.293 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 49.72 1.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.869 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . 0.415 ' HZ2' ' CA ' ' B' ' 76' ' ' GLY . 1.5 tmtp? -134.99 136.12 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -124.98 127.59 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.732 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tp -121.14 133.93 66.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.431 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 17.6 p -95.11 137.79 33.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.86 145.55 34.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.532 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -88.99 112.71 23.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.017 0.437 . . . . 10.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 51.4 t -128.53 139.44 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.078 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -83.91 153.38 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.23 -17.28 56.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.493 2.129 . . . . 10.0 112.074 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -108.81 12.72 25.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.81 148.65 46.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.989 0.423 . . . . 10.0 111.422 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.46 155.63 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.02 -43.52 89.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.36 . . . . 10.0 110.929 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -62.64 -33.59 75.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.924 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -69.94 -40.49 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.076 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 63.6 t -62.73 -42.75 97.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -58.63 -39.59 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.271 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.36 94.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.14 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -65.62 -41.05 93.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.661 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.66 -35.46 75.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.181 0.515 . . . . 10.0 110.021 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.934 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -82.16 -42.04 19.59 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -70.44 -53.24 17.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -97.62 -29.42 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.47 26.39 10.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.774 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.91 118.33 57.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.88 140.43 91.74 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.889 2.393 . . . . 10.0 112.029 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.63 -32.79 76.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.322 2.681 . . . . 10.0 112.515 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.27 -34.42 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.237 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.19 2.93 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.647 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -94.75 101.71 13.56 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -97.3 88.73 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.442 -0.947 . . . . 10.0 108.442 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -79.47 119.42 22.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.434 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -117.67 135.54 57.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.736 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -133.55 111.09 10.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.593 -0.276 . . . . 10.0 110.32 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 36.21 16.56 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.278 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.54 -7.77 79.74 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.987 -0.625 . . . . 10.0 113.708 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -111.62 128.2 55.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.037 0.418 . . . . 10.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.32 143.13 50.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 10.0 110.422 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 49.1 mt -85.85 107.4 17.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -66.76 141.6 57.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.379 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.73 -43.93 93.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.666 0.988 . . . . 10.0 113.666 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.87 41.44 2.18 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 115.07 0.788 . . . . 10.0 115.07 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -144.16 173.17 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.458 0.629 . . . . 10.0 110.449 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 60.8 p -104.96 175.04 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 10.0 111.435 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -35.11 72.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 10.0 110.651 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -15.81 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -33.35 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.88 19.36 20.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.454 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 45.91 44.39 11.12 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.259 0.837 . . . . 10.0 113.259 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -75.52 107.11 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -85.42 -173.56 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 140.05 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.796 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.39 59.19 3.09 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.73 0.644 . . . . 10.0 112.165 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -109.95 141.41 42.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.848 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -78.15 118.84 20.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.758 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 95.3 mt -111.59 108.6 18.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.697 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -74.78 130.73 39.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.612 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.23 117.44 25.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.783 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 9.7 m -123.72 -179.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.295 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.3 140.04 42.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.947 0.403 . . . . 10.0 111.068 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -130.29 88.66 2.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.718 179.372 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.59 0.233 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -76.86 114.86 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.0 pt -122.02 145.21 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.335 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -116.44 97.84 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.431 . . . . 10.0 111.293 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.77 118.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -110.69 128.41 55.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.083 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -72.8 176.14 5.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.585 -0.279 . . . . 10.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.19 -23.59 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -44.15 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 10.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.34 -6.85 1.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.897 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -64.54 123.98 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.776 0.288 . . . . 10.0 110.703 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 125.51 44.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.294 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 pt -110.51 135.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -102.53 135.87 43.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.053 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -145.86 157.83 43.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.357 . . . . 10.0 110.966 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -101.55 102.25 12.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.72 151.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 10.0 111.528 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.29 151.47 37.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.31 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.92 -31.0 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.573 2.182 . . . . 10.0 112.159 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.36 10.36 12.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.124 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -82.81 131.94 35.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.73 147.36 33.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.693 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.3 mm -56.07 -33.94 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.175 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -40.88 91.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.742 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.59 -40.0 64.2 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -54.8 -44.7 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.357 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -66.94 -37.71 84.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.993 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -30.47 71.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.389 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -65.74 -45.59 82.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.804 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.83 -34.74 72.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.295 0.569 . . . . 10.0 110.595 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -44.45 10.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.04 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.57 -56.39 22.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.704 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.44 2.0 6.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.243 -0.98 . . . . 10.0 113.04 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.73 119.1 72.23 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.42 133.86 60.55 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.921 2.414 . . . . 10.0 111.809 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -62.77 -29.04 76.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.206 2.604 . . . . 10.0 112.899 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -72.61 -18.86 61.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -104.56 1.58 29.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.96 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -88.37 128.52 35.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.381 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -119.16 88.27 2.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.818 0.342 . . . . 10.0 110.643 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.56 112.14 19.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.33 128.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.341 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -131.43 130.5 42.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.688 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.25 21.67 11.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.621 0.576 . . . . 10.0 112.062 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.32 8.07 78.61 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.159 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -122.0 150.93 41.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 10.0 111.471 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.77 135.15 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.55 115.92 21.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.854 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.54 148.88 42.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.17 -52.36 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.53 25.88 2.36 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 114.979 0.752 . . . . 10.0 114.979 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -120.18 155.22 33.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.425 0.612 . . . . 10.0 110.499 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -102.27 -179.89 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.746 0.308 . . . . 10.0 110.403 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.2 mt -69.28 -35.26 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 10.0 109.724 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -21.25 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.367 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.4 -42.12 83.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.497 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -95.65 14.68 22.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 t30 63.15 28.23 15.91 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.846 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.39 120.67 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -116.34 -161.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.41 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.6 ttp-105 -73.96 142.35 45.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.885 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.76 15.22 10.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.507 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -77.58 133.48 38.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.282 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -95.13 132.48 40.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 10.0 112.017 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.72 138.94 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -101.19 121.32 41.64 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.03 88.13 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.222 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m -93.19 -173.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.656 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 tp -82.53 135.4 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.85 68.43 9.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 10.0 110.763 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.18 117.77 22.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.325 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 0.48 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.522 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.95 141.33 12.6 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.829 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.412 ' C ' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.466 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.983 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.031 0.443 . . . . 10.0 110.414 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -81.63 120.75 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.282 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.76 157.07 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.89 135.46 54.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 10.0 111.891 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 43.3 t -122.59 125.19 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -103.24 126.12 50.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.876 0.369 . . . . 10.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 40.1 p -89.83 177.72 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.146 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.1 -20.5 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.52 . . . . 10.0 110.652 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.18 -10.23 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.74 36.33 7.92 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.954 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -121.54 140.25 52.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.322 . . . . 10.0 110.717 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -108.46 116.25 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.893 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -100.56 135.54 36.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -97.06 117.75 31.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -117.11 149.46 40.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 110.97 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -123.43 87.18 2.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.199 0.523 . . . . 10.0 110.449 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -112.29 170.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.861 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.48 151.89 38.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.3 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 -22.19 72.09 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.231 . . . . 10.0 112.231 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -82.96 -9.63 59.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.748 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.74 141.27 42.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.472 . . . . 10.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.37 162.94 20.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.226 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.9 -37.79 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 10.0 110.233 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.85 -26.69 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.362 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -73.42 -37.88 65.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.455 . . . . 10.0 109.773 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.24 -40.3 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.087 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -55.69 -41.25 73.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.698 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.31 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.677 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -70.04 -38.32 75.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.26 -38.26 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.169 0.509 . . . . 10.0 109.959 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -70.1 -32.95 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.076 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.49 -42.11 65.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.566 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -85.23 -58.3 2.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -82.23 -41.78 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.001 0.371 . . . . 10.0 112.001 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.79 29.83 5.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.209 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -103.52 115.42 63.69 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.7 135.23 69.35 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.752 2.302 . . . . 10.0 111.623 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.31 -28.37 52.58 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.302 2.668 . . . . 10.0 112.756 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -66.1 -32.52 74.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.217 0.532 . . . . 10.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -94.33 3.22 55.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.586 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -95.17 126.35 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.335 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -137.4 100.22 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.32 128.64 43.43 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -110.75 134.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.345 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' D' ' 47' ' ' GLY . 38.7 t80 -113.44 89.97 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.831 -0.348 . . . . 10.0 111.738 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.38 -22.24 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 10.0 114.263 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' D' ' 45' ' ' PHE . . . 176.63 -56.76 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.525 -0.63 . . . . 10.0 111.525 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -73.12 144.06 47.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.725 0.298 . . . . 10.0 110.346 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.02 139.41 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.14 115.66 23.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.462 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -81.87 143.52 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -38.63 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.12 12.68 57.53 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.088 -0.577 . . . . 10.0 114.001 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -101.22 151.87 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.016 0.408 . . . . 10.0 110.826 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 25.9 p -104.99 178.08 4.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.85 -37.52 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 10.0 110.579 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -22.01 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.792 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.56 -34.09 72.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.014 0.435 . . . . 10.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -118.27 6.95 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.269 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.09 39.75 22.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.274 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 53.1 mt -68.7 124.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -107.26 -166.13 1.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.288 0.566 . . . . 10.0 112.291 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -74.28 153.43 39.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.382 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.43 6.26 5.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 28.2 m -68.07 146.92 53.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 10.0 110.466 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -112.08 111.55 22.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.155 0.502 . . . . 10.0 111.713 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.7 136.16 33.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.294 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -99.61 112.28 24.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.143 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tt -96.58 96.07 8.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.845 0.355 . . . . 10.0 110.527 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 31.2 m -91.47 175.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.416 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.01 137.03 33.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.987 0.422 . . . . 10.0 111.873 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -116.61 -17.47 10.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.04 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.23 -67.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.868 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -76.29 81.29 3.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.262 0.553 . . . . 10.0 111.438 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.98 -80.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.155 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.353 179.686 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.916 0.389 . . . . 10.0 110.565 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -88.86 120.67 30.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.15 152.95 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.116 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -112.52 113.48 25.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 10.0 111.424 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -101.64 119.04 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.691 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -115.03 133.51 55.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.777 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.0 -170.2 2.36 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.32 0.83 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.17 0.509 . . . . 10.0 110.152 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -8.31 36.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.45 -1.39 55.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.21 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . 0.412 ' HZ3' ' C ' ' B' ' 76' ' ' GLY . 0.1 OUTLIER -80.29 152.49 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.753 0.311 . . . . 10.0 110.581 -179.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 21.9 m -139.54 130.0 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.167 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.15 141.53 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -100.09 134.1 43.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.953 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -128.71 139.03 52.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -101.39 110.69 22.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.919 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 m -140.54 179.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.582 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -110.1 152.23 42.98 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.27 -28.69 87.37 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.424 2.082 . . . . 10.0 112.176 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -83.19 -4.67 58.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.178 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.01 150.81 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.843 0.354 . . . . 10.0 110.528 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -91.6 161.16 15.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.596 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -58.3 -45.1 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.87 -36.27 78.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.795 0.331 . . . . 10.0 110.718 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.35 -39.22 93.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.14 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -72.14 -35.85 54.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.926 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.29 -37.07 71.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.833 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.63 99.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.291 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -65.87 -33.81 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.427 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.37 -41.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.504 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.73 -26.8 61.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.517 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -24.26 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -105.83 -56.62 2.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.792 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -78.54 -48.49 15.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.906 0.384 . . . . 10.0 111.423 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.66 -9.86 30.2 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.907 -0.663 . . . . 10.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.54 124.38 88.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.189 -0.301 . . . . 10.0 110.189 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.23 140.2 90.92 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.767 2.311 . . . . 10.0 111.668 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.22 -32.22 79.55 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.316 2.677 . . . . 10.0 112.534 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.52 -23.71 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.44 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -97.77 -3.2 39.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.531 . . . . 10.0 110.185 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -90.6 124.69 35.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.429 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -125.23 102.64 7.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.91 129.19 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.221 0.534 . . . . 10.0 111.931 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.71 124.99 70.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.596 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -126.08 118.91 26.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.993 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.38 34.74 15.43 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.686 0.616 . . . . 10.0 111.663 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.59 11.22 85.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.382 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -119.97 134.11 55.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.826 0.313 . . . . 10.0 111.323 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.53 131.49 43.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.519 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -88.47 146.23 25.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.039 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -82.39 153.26 25.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.026 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.91 -43.44 62.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.033 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.21 53.02 2.49 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 10.0 114.625 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -140.1 168.94 18.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.963 0.381 . . . . 10.0 110.048 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -101.29 173.68 6.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.825 0.345 . . . . 10.0 111.603 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.63 -34.16 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.71 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -69.62 -19.95 63.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.273 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.32 -23.31 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.912 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -113.34 16.89 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 p30 47.51 36.36 5.13 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -67.59 121.62 17.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.086 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -96.07 -174.59 3.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.75 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -69.77 131.28 44.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.37 46.46 7.66 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.19 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -82.76 162.87 21.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.498 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -95.51 97.6 9.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 10.0 111.207 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.67 120.89 39.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.761 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -91.78 138.32 31.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.809 0.337 . . . . 10.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.22 121.28 37.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.74 -178.94 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.059 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.07 145.07 46.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.931 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -130.32 28.62 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.054 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.902 -179.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.032 0.444 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.3 123.88 47.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.721 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -111.51 167.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -111.86 144.39 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 10.0 111.274 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -124.5 117.49 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -111.81 137.26 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 10.0 112.349 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.2 p -88.32 -168.74 2.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.987 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -88.19 -20.59 25.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.034 0.445 . . . . 10.0 110.365 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -77.2 -27.74 53.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.46 2.1 10.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.723 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.31 130.27 35.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -125.75 115.73 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 10.0 110.842 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 pt -105.38 166.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.349 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -123.28 135.5 54.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.26 147.28 50.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.618 0.247 . . . . 10.0 111.568 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -87.07 126.69 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.96 164.26 28.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.084 0.469 . . . . 10.0 110.976 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -109.77 153.21 43.13 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.714 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.29 -26.11 80.67 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.61 2.207 . . . . 10.0 111.717 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -98.97 14.12 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.651 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.1 133.83 38.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.837 0.351 . . . . 10.0 110.677 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 153.81 21.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.185 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -59.19 -34.39 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 10.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.45 -35.02 77.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.566 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -73.95 -36.58 64.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.33 -42.85 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.629 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.413 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 90.3 mttt -59.23 -41.19 88.12 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.633 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.752 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.99 -39.95 94.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 10.0 110.435 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.02 -37.47 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.997 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -71.94 -28.83 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.97 -37.24 69.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.566 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -95.74 -42.86 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -97.17 -34.68 11.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.12 60.8 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.223 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.82 119.65 62.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 10.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.86 132.24 43.99 Favored 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 123.131 2.554 . . . . 10.0 112.762 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.88 -32.06 94.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.218 2.612 . . . . 10.0 112.651 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.2 -24.26 66.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.548 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -103.29 4.63 36.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 10.0 110.852 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -89.48 116.84 27.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.168 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -119.04 74.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.04 122.27 19.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.937 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.8 mt -123.21 128.41 74.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -120.58 135.42 55.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.52 -71.03 0.12 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.768 0.667 . . . . 10.0 111.015 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.55 15.95 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.402 -0.679 . . . . 10.0 111.402 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -130.45 154.9 47.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 10.0 110.691 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -81.56 138.96 35.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.473 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.5 mt -85.15 122.46 29.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.073 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -88.04 139.42 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.413 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 4.9 m-20 -57.95 -23.81 55.27 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.11 -2.85 87.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.266 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -104.32 163.98 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.56 -0.376 . . . . 10.0 110.997 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.9 p -105.99 173.12 6.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.648 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.44 -39.25 93.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.08 0.467 . . . . 10.0 111.04 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.3 m -75.51 -5.88 47.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -31.44 63.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.0 13.69 25.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.159 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 58.79 49.04 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.457 -0.792 . . . . 10.0 112.065 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -91.13 113.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.13 -162.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.888 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -63.26 146.5 53.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.026 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 58.23 45.91 16.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.0 m -108.98 124.89 51.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.848 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -96.36 118.12 32.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.671 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.01 141.88 33.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -100.53 128.5 46.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.229 0.538 . . . . 10.0 112.07 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -89.51 97.61 11.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.163 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 84.6 t -77.97 138.87 19.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.611 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.74 130.16 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -88.94 120.9 30.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.4 tp -87.15 139.21 30.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.874 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 25.34 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.127 0.489 . . . . 10.0 111.023 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.07 -169.63 21.0 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.648 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.441 ' CA ' ' HZ2' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.259 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.771 0.32 . . . . 10.0 110.731 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -107.23 123.75 48.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.175 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.8 162.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.162 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -110.79 123.17 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.968 0.413 . . . . 10.0 110.403 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -108.73 118.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.55 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -97.63 115.46 27.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.974 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -83.35 171.47 13.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.715 0.293 . . . . 10.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 80.5 mt -66.83 -21.69 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.103 0.477 . . . . 10.0 111.083 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -9.25 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.764 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.99 21.09 47.59 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.457 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.414 ' HZ3' ' CD ' ' D' ' 34' ' ' GLU . 81.6 tttt -99.34 134.21 42.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.69 115.32 29.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.72 0.295 . . . . 10.0 110.996 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 pt -108.62 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.269 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.85 140.32 39.86 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 mt -128.46 151.3 49.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.54 0.21 . . . . 10.0 111.509 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.93 112.96 26.03 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.032 -1.099 . . . . 10.0 108.032 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.91 178.16 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -123.1 152.1 62.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.7 -31.63 80.7 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.59 2.194 . . . . 10.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -100.81 24.17 9.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.419 . . . . 10.0 111.745 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.58 156.87 24.97 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.0 151.32 22.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.906 0.384 . . . . 10.0 111.876 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.27 -39.37 73.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.989 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.91 -34.92 73.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.281 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.02 -34.93 66.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.999 0.428 . . . . 10.0 109.964 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.78 -43.53 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.733 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . 0.438 ' HZ1' ' CG ' ' D' ' 52' ' ' ASP . 93.4 mttt -59.95 -38.29 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.94 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.26 82.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -68.07 -36.02 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.726 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -68.25 -32.42 55.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.319 0.581 . . . . 10.0 109.454 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -74.12 -33.93 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.247 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -72.66 -37.53 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.274 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -77.08 -71.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.37 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . 0.414 ' CD ' ' HZ3' ' D' ' 11' ' ' LYS . 17.2 tp10 -79.04 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.08 0.467 . . . . 10.0 111.224 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.71 19.33 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.195 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 38.2 mt -80.42 127.34 76.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.479 -0.193 . . . . 10.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.04 123.55 13.72 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.868 2.378 . . . . 10.0 111.794 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.82 -29.19 85.2 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.333 2.688 . . . . 10.0 112.489 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.1 -27.11 67.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.459 . . . . 10.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -95.91 -7.83 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -79.72 125.51 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.695 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -122.83 90.83 3.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.97 122.81 23.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 10.0 112.807 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -114.72 141.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -133.15 101.98 5.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.719 0.295 . . . . 10.0 110.535 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.01 52.53 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.462 -0.79 . . . . 10.0 112.307 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 -49.21 3.23 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.747 -0.74 . . . . 10.0 113.742 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -84.26 140.85 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.998 0.399 . . . . 10.0 111.724 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.23 150.3 37.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.464 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -94.15 143.61 26.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.301 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -98.43 137.78 36.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.929 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . 0.438 ' CG ' ' HZ1' ' D' ' 27' ' ' LYS . 4.3 m-20 -59.81 -42.04 92.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.27 39.05 2.61 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.439 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -134.54 156.6 48.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -93.6 170.66 9.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.292 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.88 -24.39 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.17 0.51 . . . . 10.0 110.427 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -22.73 42.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.182 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -40.77 84.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.462 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -108.9 8.64 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.03 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.8 64.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 10.0 113.533 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -97.84 114.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.76 -1.2 . . . . 10.0 107.76 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -99.51 -151.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -86.23 143.72 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.807 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 69.57 7.15 6.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.525 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.2 m -73.39 128.35 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.911 0.386 . . . . 10.0 110.1 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 88.6 m -92.95 130.28 38.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.559 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -96.8 143.28 27.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -102.39 139.45 37.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.442 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.9 141.7 50.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 10.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 m -134.5 154.86 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 36.3 tp -69.61 119.42 13.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 10.0 111.685 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -110.25 63.41 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.155 0.502 . . . . 10.0 111.186 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 mt -118.01 -85.65 0.64 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.555 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -135.29 97.14 3.63 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.898 0.38 . . . . 10.0 111.376 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.6 89.28 1.58 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.132 0 C-N-CA 121.065 -0.588 . . . . 10.0 113.233 -179.221 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.835 0.35 . . . . 10.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -93.44 120.42 33.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.378 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -103.59 162.04 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.938 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -121.81 109.14 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.097 0.475 . . . . 10.0 111.275 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.75 128.66 48.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -123.98 139.22 54.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.054 0.454 . . . . 10.0 111.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' THR . . . . . 0.427 ' C ' ' H ' ' E' ' 9' ' ' THR . 0.9 OUTLIER -94.18 174.59 7.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 13.64 0.26 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' THR . . . . . 0.427 ' H ' ' C ' ' E' ' 7' ' ' THR . 15.2 t -119.4 -4.11 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.492 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -11.16 60.43 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.615 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . 0.441 ' HZ2' ' CA ' ' B' ' 76' ' ' GLY . 81.8 tttt -59.68 132.91 55.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.599 0.238 . . . . 10.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.03 127.61 49.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.505 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tp -121.98 143.54 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.294 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -98.74 135.47 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -136.28 130.07 32.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.637 0.256 . . . . 10.0 111.535 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -90.37 103.71 16.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.38 142.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.343 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.6 146.49 50.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.99 -20.46 67.58 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.894 2.396 . . . . 10.0 113.465 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -10.18 59.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.94 155.25 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.894 0.378 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.55 165.26 13.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.059 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 44.0 mm -58.99 -39.43 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.544 0.212 . . . . 10.0 111.386 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.97 -36.4 77.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 10.0 110.679 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.89 -38.22 88.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.255 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.99 -35.84 73.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.38 -36.22 83.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.29 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.06 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.574 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -67.4 -36.79 81.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.693 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.66 -33.23 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.476 0.655 . . . . 10.0 109.321 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.44 -16.22 62.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.809 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -90.36 -49.67 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.901 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.1 -47.62 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 10.0 111.5 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.2 7.82 34.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.695 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.38 122.67 75.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 110.351 -0.24 . . . . 10.0 110.351 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.87 145.15 99.45 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.797 2.331 . . . . 10.0 111.517 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.78 -30.56 68.03 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.086 2.524 . . . . 10.0 112.724 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.45 -24.43 63.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.023 0.44 . . . . 10.0 110.932 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -95.66 -6.14 40.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.371 0.605 . . . . 10.0 109.554 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -93.27 122.68 35.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.784 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -130.67 104.17 7.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.74 136.63 37.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.128 0.489 . . . . 10.0 111.753 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -126.27 120.42 56.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.677 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -111.3 108.56 18.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.551 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.28 37.43 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.858 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.59 2.18 87.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.842 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -107.65 115.88 30.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.754 0.311 . . . . 10.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 123.29 20.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.733 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.47 138.67 43.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.756 0.312 . . . . 10.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -88.47 171.47 10.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.637 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -87.48 -49.65 7.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.818 0.342 . . . . 10.0 111.725 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.68 51.17 4.53 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.22 -0.514 . . . . 10.0 113.57 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -145.07 166.37 25.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 60.0 p -107.39 178.72 4.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.697 0.284 . . . . 10.0 110.916 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.22 -29.85 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 10.0 110.675 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -69.57 -19.51 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.169 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -29.43 70.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.658 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.59 20.25 14.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 p30 46.09 45.16 12.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.202 -0.908 . . . . 10.0 113.413 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -69.94 113.7 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.978 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -97.43 -160.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.821 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -81.52 147.44 29.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.527 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 65.14 29.49 11.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -82.09 142.9 31.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 23.7 m -103.53 113.44 26.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.66 127.43 48.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.937 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -89.54 130.15 35.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.681 0.277 . . . . 10.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -116.41 120.92 40.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.688 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.26 -175.32 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -91.17 132.14 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 10.0 111.339 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -114.15 130.55 56.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.91 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.888 0.375 . . . . 10.0 111.124 -179.661 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.771 0.319 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.59 104.54 15.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.464 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -87.28 163.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -110.47 144.56 39.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.869 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.72 121.86 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -112.92 136.59 52.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.909 0.385 . . . . 10.0 111.431 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -86.36 -165.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.091 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.66 -37.27 56.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 10.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.54 32.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.088 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.74 -20.11 0.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.43 -0.89 . . . . 10.0 112.673 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.96 122.54 5.9 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.822 0.449 . . . . 10.0 111.662 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -119.56 113.18 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.534 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -101.92 158.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.926 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.49 141.91 41.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 mt -137.09 121.04 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -82.35 103.45 11.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -133.16 167.52 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.124 0.487 . . . . 10.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -107.68 158.79 32.48 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.35 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.03 -28.51 86.23 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.191 1.927 . . . . 10.0 111.492 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -3.74 48.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.815 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.5 124.8 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 10.0 110.386 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.31 148.15 37.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.945 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.15 -45.72 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.607 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -75.24 -39.18 60.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.95 -35.01 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -59.35 -42.67 92.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.812 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.77 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.329 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -66.61 -40.84 89.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.451 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.8 -36.3 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.633 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -63.16 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.56 -37.18 71.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -97.37 -40.78 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -91.19 -22.93 20.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.04 83.99 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.82 -0.705 . . . . 10.0 113.411 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -92.97 119.77 67.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.61 140.24 90.07 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.983 2.456 . . . . 10.0 112.107 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.35 -27.83 86.0 Favored 'Trans proline' 0 N--CA 1.477 0.531 0 C-N-CA 123.538 2.825 . . . . 10.0 113.724 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -69.41 -17.17 63.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.704 0.288 . . . . 10.0 111.662 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -112.35 13.41 20.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.056 0.455 . . . . 10.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -103.14 121.53 42.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -120.91 112.07 18.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 mt -99.93 116.09 31.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.768 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.74 112.66 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.357 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -110.84 120.06 41.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.41 16.8 7.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.387 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.78 10.96 48.41 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -119.7 134.14 55.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.641 0.258 . . . . 10.0 110.757 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -80.78 119.37 23.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -75.43 125.84 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.226 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -79.63 143.1 34.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.269 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.07 -39.71 69.55 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.41 15.9 32.53 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.802 -0.713 . . . . 10.0 114.444 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -111.8 158.42 19.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.303 0.552 . . . . 10.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 173.97 6.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.07 -40.84 78.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 10.0 110.71 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -17.56 63.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.316 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.1 -36.25 69.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.248 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -94.89 5.43 51.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.5 45.56 6.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.501 0.667 . . . . 10.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.81 103.4 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.426 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -92.09 178.81 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.377 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -64.94 161.62 18.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.025 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.3 31.18 13.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.421 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -116.09 141.45 48.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.824 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.7 m -111.69 140.45 46.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.199 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.65 146.85 29.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -108.37 127.95 54.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.939 0.4 . . . . 10.0 111.545 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -107.11 125.09 50.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.761 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 m -125.85 166.5 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.063 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mp -72.42 115.53 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.85 99.27 10.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.446 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -122.97 144.66 49.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.088 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 106.41 11.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.488 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.55 96.42 0.69 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.646 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.485 ' C ' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.837 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.89 0.376 . . . . 10.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -103.63 140.88 36.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.293 -0.262 . . . . 10.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.59 164.17 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -122.31 123.88 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.396 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.38 133.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.756 0.312 . . . . 10.0 110.98 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -103.92 103.61 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.105 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.3 p -75.52 172.55 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.472 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.16 -25.97 66.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.939 0.4 . . . . 10.0 110.934 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -13.06 60.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.495 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.17 8.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.59 -0.814 . . . . 10.0 111.636 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -113.2 113.65 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -85.04 103.9 14.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.807 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 pt -104.48 150.46 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.76 129.69 55.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -118.36 152.24 36.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.9 110.36 22.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.101 -1.074 . . . . 10.0 108.101 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.03 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.412 0.625 . . . . 10.0 111.734 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.32 159.82 53.92 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.201 -0.909 . . . . 10.0 108.676 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.31 -24.0 77.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.122 1.881 . . . . 10.0 111.434 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -1.83 56.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.77 144.7 47.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.94 153.19 17.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.32 -43.07 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 10.0 111.032 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.79 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.496 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -75.89 -39.28 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.087 0.47 . . . . 10.0 110.232 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.95 -41.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.857 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.76 -34.92 75.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.484 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.75 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.872 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.68 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.381 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -68.22 -40.05 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.06 -26.97 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.264 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -74.15 -19.63 60.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -104.47 -57.35 2.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -84.32 -54.09 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 10.0 110.907 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.75 3.18 12.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 10.0 112.995 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -74.67 120.3 80.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.724 0.262 . . . . 10.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -58.32 133.75 57.02 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.757 2.304 . . . . 10.0 111.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.2 -26.69 71.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.259 2.639 . . . . 10.0 112.696 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.49 -28.59 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.557 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -101.2 9.77 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -98.72 136.76 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.868 0.366 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -133.21 91.14 2.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.76 126.44 31.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.408 -0.815 . . . . 10.0 113.035 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -119.06 127.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . 0.404 ' C ' ' H ' ' D' ' 47' ' ' GLY . 83.7 t80 -130.34 126.71 37.83 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.43 -37.5 0.39 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.924 0.765 . . . . 10.0 112.841 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' D' ' 45' ' ' PHE . . . 165.61 -32.23 0.23 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.162 -0.542 . . . . 10.0 112.188 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -95.99 171.27 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 10.0 111.278 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -85.37 149.08 25.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.435 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 78.2 mt -94.2 126.83 39.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.583 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.6 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.38 -31.56 61.9 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.735 0.643 . . . . 10.0 112.735 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.84 32.09 4.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 10.0 114.248 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -133.04 158.45 42.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.481 0.64 . . . . 10.0 111.56 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.01 162.35 14.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.007 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -65.42 -39.62 92.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.825 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -62.32 -27.07 68.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 10.0 111.559 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.95 -29.2 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.203 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -99.2 8.11 45.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.747 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 57.3 t30 66.05 29.22 10.14 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.244 0.545 . . . . 10.0 111.129 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.37 123.38 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -118.44 -158.49 0.72 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.294 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -79.51 135.54 36.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 72.55 18.57 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -74.41 139.02 43.73 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -95.36 126.67 40.83 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -109.11 130.04 55.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.566 -0.901 . . . . 10.0 108.566 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -99.96 136.72 39.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.812 0.339 . . . . 10.0 111.481 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -108.24 118.95 38.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.0 173.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.964 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.25 134.23 47.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.569 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.54 69.37 1.23 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.46 0.648 . . . . 10.0 109.969 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 tp -155.95 145.46 20.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.795 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -70.08 -73.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 10.0 109.833 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.35 -167.63 34.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.919 -0.873 . . . . 10.0 110.919 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 121.112 -0.565 . . . . 10.0 112.99 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.146 0.498 . . . . 10.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -84.98 127.45 34.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.786 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.48 167.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.199 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.78 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 10.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.23 120.94 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -112.79 147.14 37.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.207 0.527 . . . . 10.0 111.583 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -116.13 163.42 15.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -15.37 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 10.0 111.507 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -17.69 38.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.977 0.417 . . . . 10.0 111.157 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.0 22.18 9.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.132 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . 0.485 ' HZ3' ' C ' ' B' ' 76' ' ' GLY . 0.0 OUTLIER -103.46 112.13 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -103.33 130.9 50.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.583 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -126.61 136.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 10.0 110.903 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -101.75 133.04 47.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.448 . . . . 10.0 109.978 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -138.6 143.37 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.808 0.337 . . . . 10.0 110.699 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -102.78 111.28 23.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.551 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.78 179.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -110.4 147.95 37.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.49 -29.81 89.43 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.483 2.122 . . . . 10.0 111.947 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 11.03 15.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.918 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.32 132.13 34.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 10.0 111.544 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.02 149.96 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.637 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.19 -44.38 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.759 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.74 -31.25 70.57 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -78.76 -36.24 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 10.0 109.917 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.66 -41.41 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -60.11 -37.22 79.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.732 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.73 96.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.994 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -63.97 -39.14 93.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.771 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.91 -41.87 94.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.941 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.0 -39.38 83.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.792 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.45 -42.28 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.75 -49.74 56.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.75 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.25 -103.0 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.281 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.0 28.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.813 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -108.84 117.18 54.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.07 144.02 99.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.873 2.382 . . . . 10.0 112.1 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -53.25 -27.67 39.15 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.398 2.732 . . . . 10.0 112.321 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.77 -27.0 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -102.05 0.5 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.281 0.563 . . . . 10.0 110.286 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -96.27 121.92 38.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.459 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -119.06 101.8 8.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.14 124.05 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.023 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.09 129.56 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 10.0 109.732 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -129.69 128.44 42.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 22.57 11.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.584 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.44 -6.52 82.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.936 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -107.23 144.86 33.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.651 -0.323 . . . . 10.0 110.992 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.96 138.09 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 10.0 111.102 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -93.06 119.85 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.558 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -67.39 129.91 41.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.955 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.64 -32.55 59.19 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.013 0.745 . . . . 10.0 113.013 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 6.09 70.2 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 114.646 0.618 . . . . 10.0 114.646 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -112.44 164.71 12.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.692 0.746 . . . . 10.0 110.654 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -101.86 178.39 4.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.557 0.218 . . . . 10.0 111.175 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.01 -36.1 81.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.12 0.486 . . . . 10.0 111.021 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -69.07 -19.03 64.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.48 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.53 -24.67 66.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 10.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -118.3 20.64 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.001 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p30 48.04 38.19 9.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.944 -1.025 . . . . 10.0 113.745 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.25 115.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.494 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -98.83 -164.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.745 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.74 148.52 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.517 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 65.84 24.11 11.35 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 52.1 m -79.23 141.9 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.644 0.259 . . . . 10.0 110.601 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -100.37 107.7 19.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.905 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.39 143.16 29.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -103.0 123.9 47.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 10.0 110.932 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -108.42 120.91 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.601 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.2 m -121.63 176.56 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.832 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.54 141.44 44.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -124.35 126.04 45.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.181 179.592 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.24 111.29 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.718 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 pt -107.38 151.6 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.743 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -115.37 135.49 54.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.25 126.75 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -108.05 122.73 47.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.571 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 175.03 8.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.638 0.256 . . . . 10.0 111.522 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.25 -20.55 42.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -38.43 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 10.0 110.66 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.03 -9.63 5.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.347 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -62.0 130.64 46.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.63 0.252 . . . . 10.0 110.544 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.21 125.01 51.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 pt -118.91 155.96 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.813 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.76 143.21 39.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.192 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -138.76 157.72 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.912 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.88 113.53 26.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 168.48 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 10.0 111.085 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.62 152.91 44.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.4 -29.8 85.66 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.496 2.131 . . . . 10.0 111.202 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 p -79.09 -0.36 31.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.114 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.88 138.71 36.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 10.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.73 157.37 21.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.53 -36.12 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.62 -25.5 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.238 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -76.35 -39.29 54.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.43 -39.79 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.743 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.408 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 94.9 mttt -57.33 -43.46 83.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.979 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.47 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.288 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.18 -41.79 94.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.465 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -68.67 -34.49 65.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.33 0.586 . . . . 10.0 109.586 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.22 -32.32 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.248 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.8 -39.66 23.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.024 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -78.09 -63.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.15 -40.3 19.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.049 0.388 . . . . 10.0 112.049 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.57 40.23 3.46 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.181 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -106.2 126.17 31.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -50.81 124.72 14.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.484 2.79 . . . . 10.0 112.312 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.25 -29.96 87.34 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.986 2.457 . . . . 10.0 112.395 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -75.86 -8.04 55.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.628 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -118.73 7.34 11.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.497 . . . . 10.0 110.466 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -87.6 106.87 18.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.457 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -101.48 89.75 3.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.68 116.38 22.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.548 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -111.68 129.41 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.893 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -126.29 134.76 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.386 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.22 -66.14 0.29 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.855 0.722 . . . . 10.0 110.934 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.73 10.13 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.557 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -139.25 163.84 31.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.313 -0.255 . . . . 10.0 110.313 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.33 155.1 22.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 10.0 110.251 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -99.21 142.0 31.26 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -80.0 145.14 32.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.408 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 4.7 m-20 -59.01 -45.12 91.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.43 48.04 3.96 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.015 -0.612 . . . . 10.0 113.567 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -139.72 155.71 47.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.7 176.42 5.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.79 0.328 . . . . 10.0 110.595 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.0 mt -71.72 -37.71 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.058 0.456 . . . . 10.0 110.304 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -25.92 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.187 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -66.86 -21.25 66.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.711 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -115.05 13.19 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.751 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.23 29.07 11.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.34 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -75.19 130.57 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.12 -164.84 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 10.0 111.749 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -74.13 139.26 44.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.977 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 66.14 14.98 9.91 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -77.86 121.2 23.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -86.94 126.62 34.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.43 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.25 156.84 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -112.73 135.9 52.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.148 0.499 . . . . 10.0 111.907 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -114.47 104.0 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.246 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -102.39 173.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.39 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.17 146.43 24.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.841 0.353 . . . . 10.0 111.235 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -118.01 106.8 13.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.601 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.79 144.57 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.53 150.55 47.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.19 -64.9 0.48 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.129 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.949 0.404 . . . . 10.0 110.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.61 114.61 26.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.726 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -98.53 152.59 4.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.589 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.82 126.07 55.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.37 . . . . 10.0 110.876 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.52 131.62 70.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.341 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -95.59 112.34 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -71.14 178.83 3.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.989 0.423 . . . . 10.0 111.528 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.86 -21.93 63.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 10.0 110.155 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -8.13 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.7 11.25 66.13 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.903 -0.665 . . . . 10.0 111.847 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -82.81 143.48 30.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 10.0 110.275 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -100.87 110.56 22.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -102.05 142.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.724 0.297 . . . . 10.0 110.618 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -109.38 127.22 54.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.65 132.81 48.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.673 0.273 . . . . 10.0 111.691 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.6 112.48 24.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -134.65 169.87 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 10.0 111.867 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -105.03 152.63 39.69 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.01 -21.52 73.23 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.295 1.997 . . . . 10.0 111.687 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -90.59 6.2 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.703 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.74 137.12 37.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 10.0 110.868 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.46 165.33 16.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.817 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -33.1 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.857 0.36 . . . . 10.0 111.336 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.5 -35.47 79.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.126 0.488 . . . . 10.0 110.517 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -67.92 -37.13 81.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.43 -39.29 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.89 -45.44 82.59 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.381 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.74 84.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -65.6 -41.7 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.364 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.15 -35.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.213 0.53 . . . . 10.0 110.556 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -73.34 -30.82 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.93 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.45 -24.51 59.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 10.0 112.259 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -104.76 -59.61 1.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -84.59 -23.08 29.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 10.0 111.726 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.33 25.24 57.55 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.562 -0.827 . . . . 10.0 113.129 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -85.22 121.36 73.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.11 126.13 21.37 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.859 2.372 . . . . 10.0 111.844 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.85 -25.47 52.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.184 2.59 . . . . 10.0 112.647 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.62 -37.17 82.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -97.5 5.46 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.052 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.3 112.96 20.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -128.72 108.55 10.56 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -97.36 126.94 42.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mm -111.47 128.04 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 10.0 108.801 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -106.76 88.57 2.78 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.47 49.5 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.599 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.1 -34.16 5.27 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.828 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.197 0.498 . . . . 10.0 110.475 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -80.49 141.83 34.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 44.8 mt -87.4 130.54 34.62 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.334 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -77.32 164.54 25.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -76.43 -44.3 36.46 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.54 47.59 1.91 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.666 -0.778 . . . . 10.0 114.25 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -129.8 163.14 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -113.66 163.28 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.619 0.247 . . . . 10.0 111.276 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.22 -34.43 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -64.5 -26.71 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.76 -42.98 69.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 10.0 111.05 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -88.73 7.52 33.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.685 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 t30 59.04 47.53 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 10.0 112.332 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 62.2 mt -89.27 122.3 40.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.628 -0.879 . . . . 10.0 108.628 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -126.13 -123.2 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.136 0.493 . . . . 10.0 111.998 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -95.1 134.71 37.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.142 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 65.46 19.71 11.61 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -67.45 131.78 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -101.53 125.9 48.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.101 0.477 . . . . 10.0 111.758 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -108.19 134.5 50.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.15 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -98.81 112.16 24.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.507 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.1 114.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.81 158.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.469 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.6 145.84 36.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -91.71 118.74 30.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 tp -137.89 120.61 16.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.626 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -117.83 164.87 14.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.01 76.74 0.23 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.785 -0.722 . . . . 10.0 112.098 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.436 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.901 0.381 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -85.91 108.32 18.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.881 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 pt -100.0 164.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.164 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -113.62 122.18 46.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.962 0.41 . . . . 10.0 111.542 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.68 122.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.755 -0.832 . . . . 10.0 108.755 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -118.64 148.98 42.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.276 0.56 . . . . 10.0 111.998 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -112.17 177.9 4.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.652 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.5 t -75.98 -13.67 60.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.915 0.388 . . . . 10.0 111.169 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.3 49.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.556 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -64.51 126.27 27.33 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -118.5 119.14 33.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.16 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 tt -119.46 146.34 24.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -99.8 142.08 31.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -134.26 134.55 42.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.463 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -102.1 98.27 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.865 0.364 . . . . 10.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 16.5 m -129.78 175.35 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.479 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -111.26 154.04 43.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.73 -26.99 68.24 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.55 2.167 . . . . 10.0 111.639 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.45 2.12 30.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.797 -0.638 . . . . 10.0 112.033 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 152.04 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.328 . . . . 10.0 110.53 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -89.32 162.37 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.174 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.63 -33.6 60.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.961 0.41 . . . . 10.0 109.927 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.88 -36.41 81.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.224 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -40.06 70.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.94 -41.67 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' E' ' 52' ' ' ASP . 77.7 mttt -58.46 -37.94 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.776 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.44 95.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.363 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -67.82 -32.98 73.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.866 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.46 -36.86 78.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -73.5 -32.33 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.844 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.22 -33.55 69.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.577 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -88.09 -45.79 9.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -97.29 -65.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 10.0 111.678 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.92 -13.08 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.062 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.2 124.89 82.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.423 0.289 . . . . 10.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -59.01 134.44 59.94 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.691 2.26 . . . . 10.0 111.591 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -53.88 -36.51 83.44 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.592 2.861 . . . . 10.0 113.942 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -74.05 -11.17 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 10.0 111.585 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.5 3.53 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.788 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -99.14 135.67 40.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.918 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -127.52 98.71 5.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 74.9 mt -88.02 117.82 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.453 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mt -109.37 126.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.125 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -127.13 123.51 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 18.55 10.65 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.838 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -5.64 43.1 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.409 -0.9 . . . . 10.0 113.696 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -124.93 138.96 54.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.09 0.445 . . . . 10.0 111.949 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.32 132.57 45.88 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 24.0 mt -77.06 127.78 33.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.93 0.395 . . . . 10.0 110.968 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.53 134.11 45.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.816 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' HZ3' ' E' ' 27' ' ' LYS . 0.8 OUTLIER -54.12 -46.09 72.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.37 45.62 3.27 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.101 -0.571 . . . . 10.0 113.924 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -146.09 166.17 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 39.3 p -105.44 178.05 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.693 0.282 . . . . 10.0 111.123 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.47 -39.18 67.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 10.0 110.699 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 6.7 m -65.58 -20.96 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.91 -36.27 78.85 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.99 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -104.63 21.57 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.589 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p30 46.69 44.5 13.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.339 -0.846 . . . . 10.0 113.215 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -70.92 116.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.331 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -90.79 179.52 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.092 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.39 139.14 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.446 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 69.41 34.19 2.94 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 59.5 m -84.62 157.15 21.26 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.745 0.307 . . . . 10.0 111.064 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -109.36 129.44 55.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 10.0 111.911 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.76 131.72 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.923 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.42 112.65 24.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.31 122.92 43.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.115 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.74 170.56 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.64 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.15 122.57 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.527 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.01 123.14 26.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.372 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.751 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.417 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.53 121.17 27.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.5 pt -114.3 151.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.049 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -107.79 130.93 54.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.856 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.7 114.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.966 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.38 129.0 47.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.181 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.23 -171.93 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.526 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.97 -14.95 63.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.855 0.36 . . . . 10.0 111.491 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -132.82 0.27 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.345 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.84 -12.86 15.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.681 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.96 132.87 54.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.509 . . . . 10.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -135.03 116.62 14.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -100.15 169.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.949 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -128.26 136.29 50.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.706 0.288 . . . . 10.0 111.011 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.89 122.54 33.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.202 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 m -134.92 175.96 9.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 10.0 111.007 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -114.06 150.38 43.48 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.4 -34.52 94.63 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.422 2.081 . . . . 10.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -96.54 22.75 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.16 136.81 38.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.63 144.49 33.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 mm -56.66 -39.5 63.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 10.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -61.81 -34.8 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.85 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -73.1 -39.34 65.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.61 -41.23 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.435 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.86 -39.9 82.71 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.103 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.07 89.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.17 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.32 -42.35 95.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.208 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.76 -37.2 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.212 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -64.02 -43.84 94.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.525 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.75 -32.97 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.451 . . . . 10.0 110.936 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.25 -53.57 8.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.821 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.6 -72.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.84 -1.27 1.08 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.544 -0.836 . . . . 10.0 113.142 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -83.02 123.58 77.48 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -59.91 145.85 97.27 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.882 2.388 . . . . 10.0 112.489 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.1 -27.18 84.29 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.389 2.726 . . . . 10.0 113.271 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -18.05 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 10.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -105.56 3.39 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.39 . . . . 10.0 110.727 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.88 109.69 21.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.669 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -97.95 92.49 5.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.16 112.69 19.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.011 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.24 123.61 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.533 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -126.66 111.69 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.732 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.34 23.31 10.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.668 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.46 -5.51 77.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.538 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -105.85 135.91 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.08 137.04 38.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.416 . . . . 10.0 110.61 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.3 mt -88.73 105.09 17.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.828 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.02 140.87 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.908 0.385 . . . . 10.0 111.283 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -55.78 -37.41 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 10.0 112.46 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.01 11.39 11.57 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 114.513 0.565 . . . . 10.0 114.513 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -120.81 159.06 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.196 0.498 . . . . 10.0 110.45 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 p -103.46 169.62 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.346 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.65 -28.74 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.009 0.433 . . . . 10.0 111.836 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -19.74 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.62 -28.06 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 10.0 111.545 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.0 17.1 19.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.897 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 56.62 48.64 16.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.683 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.92 126.89 43.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.31 -162.45 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.904 0.383 . . . . 10.0 110.606 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -74.61 152.87 39.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.07 0.26 3.34 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.506 0.504 . . . . 10.0 112.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -77.11 132.48 38.88 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.213 0.53 . . . . 10.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.2 m -101.42 134.7 44.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.859 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.9 150.82 38.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -106.05 131.48 53.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.148 0.499 . . . . 10.0 112.152 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 tp -106.74 97.58 7.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.217 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.74 163.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.871 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.18 139.03 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -104.49 -63.04 1.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.94 116.15 21.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 10.0 111.459 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -131.58 -40.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.781 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.83 -123.19 2.08 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.37 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.623 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.17 0.51 . . . . 10.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -81.53 138.21 35.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.324 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -122.82 164.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.134 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.77 131.6 56.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.383 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.83 127.82 75.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 10.0 110.561 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -94.58 124.83 38.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.084 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -77.02 179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -72.93 -18.83 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 10.0 110.022 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -30.06 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.659 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.45 -5.01 10.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 135.72 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 10.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -105.45 101.99 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.964 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -92.4 141.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.897 0.38 . . . . 10.0 111.204 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.56 135.28 46.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.111 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -147.49 140.64 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.925 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -93.73 128.82 40.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.76 -177.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.066 0.46 . . . . 10.0 110.936 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -130.94 142.88 47.19 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.59 -32.12 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.603 2.202 . . . . 10.0 112.684 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.27 3.39 27.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.94 134.41 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 10.0 110.376 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.47 153.0 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.065 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -54.9 -37.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 10.0 111.602 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.361 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -68.7 -38.18 80.09 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -42.56 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.631 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.1 -40.09 92.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.709 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.14 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.749 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.49 -37.23 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.439 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.42 -35.14 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.285 0.564 . . . . 10.0 109.748 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.05 -21.75 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.415 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.98 -33.68 22.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.402 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -89.03 -50.76 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -96.18 -44.72 7.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 10.0 110.986 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 21.98 11.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.445 -0.883 . . . . 10.0 112.947 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -81.97 125.62 77.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -54.03 124.44 15.94 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.885 2.39 . . . . 10.0 111.653 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.31 -26.05 59.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.204 2.603 . . . . 10.0 112.335 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.02 -39.34 93.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.453 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.66 24.6 5.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.998 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -106.52 115.82 30.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.978 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -122.29 110.78 16.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -91.73 123.25 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.01 120.13 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -115.09 113.17 23.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.746 0.308 . . . . 10.0 111.388 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.68 15.34 8.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.49 19.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.467 -0.873 . . . . 10.0 113.565 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 138.13 36.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 10.0 111.792 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -95.68 133.16 40.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.76 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.07 141.67 38.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.999 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.04 -48.83 75.25 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.45 57.45 4.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.458 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.84 157.04 45.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -103.23 173.89 6.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.47 -29.83 65.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.004 0.43 . . . . 10.0 110.825 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -24.26 65.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.075 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.71 -38.87 89.46 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.456 0.646 . . . . 10.0 110.052 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.52 8.91 37.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.114 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 56.1 44.1 25.82 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.484 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -77.8 119.53 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.34 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -103.4 -168.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -74.35 145.0 44.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.063 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 78.22 1.57 2.72 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.927 0.767 . . . . 10.0 113.058 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -59.35 123.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 10.0 110.482 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -93.91 109.33 21.05 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.607 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -97.71 147.88 23.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.9 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -108.97 122.67 47.74 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.051 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 112.29 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 28.5 m -104.69 -175.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.154 0.502 . . . . 10.0 111.569 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.22 159.3 16.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.625 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -130.87 89.63 2.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -126.07 126.77 44.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.23 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -96.92 -52.48 3.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.74 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.06 122.16 1.52 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.98 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 C-N-CA 121.614 -0.327 . . . . 10.0 113.655 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.064 0.459 . . . . 10.0 110.429 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -76.52 114.5 15.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.828 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.66 159.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.989 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -109.21 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.9 122.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -122.15 145.86 47.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 10.0 111.788 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -106.71 176.5 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.673 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.72 -20.48 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -84.62 -8.59 58.83 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.952 0.406 . . . . 10.0 111.474 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.68 56.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.089 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -67.57 123.66 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 11.2 m -117.1 129.65 56.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.866 0.365 . . . . 10.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -123.97 135.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -98.93 135.71 39.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.056 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -137.33 131.89 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -89.13 96.73 10.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.27 149.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.887 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -85.32 145.81 43.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.87 -26.67 82.98 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.801 2.334 . . . . 10.0 112.279 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -87.21 -0.8 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.902 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -77.49 144.19 37.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 10.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 15.3 p -89.64 170.03 10.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.8 -36.59 61.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.845 0.355 . . . . 10.0 110.367 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.34 -37.73 78.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.948 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -69.52 -41.78 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.5 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -63.44 -47.15 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.87 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -60.2 -39.68 87.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.831 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.69 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.585 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.543 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.88 -33.7 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.185 0.517 . . . . 10.0 110.457 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -71.49 -22.12 61.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.539 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -87.0 -47.06 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.094 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -73.84 -50.8 18.66 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.81 -40.93 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.05 -1.98 31.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.452 -0.88 . . . . 10.0 112.869 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.45 122.16 86.36 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.21 144.28 98.81 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.679 2.253 . . . . 10.0 111.252 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.73 -33.54 96.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.028 2.485 . . . . 10.0 112.003 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.04 -17.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.765 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -103.82 4.24 34.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 10.0 110.055 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.869 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -127.73 109.18 11.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.004 -1.11 . . . . 10.0 108.004 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -91.01 123.54 34.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.085 0.469 . . . . 10.0 111.835 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.61 128.61 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.677 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -136.08 120.65 18.25 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.54 16.92 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.762 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.95 -5.21 68.7 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -104.54 147.23 27.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.671 0.272 . . . . 10.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.04 126.25 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 38.0 mt -81.03 110.71 16.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.812 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.99 135.65 52.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.21 -42.45 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.94 38.21 1.74 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.851 0.7 . . . . 10.0 114.851 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -141.09 157.8 44.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.317 0.559 . . . . 10.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -93.0 -178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.88 -41.94 74.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.1 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -66.22 -21.59 66.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -34.21 73.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.011 0.434 . . . . 10.0 110.763 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -109.99 18.94 19.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.041 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p30 47.59 38.62 8.38 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 53.4 mt -73.53 120.77 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.635 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -98.24 -177.59 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.763 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -73.57 139.95 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.672 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 73.69 17.94 3.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.75 0.656 . . . . 10.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 26.9 m -81.81 160.9 23.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.355 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 32.6 m -103.78 126.78 51.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.161 0.505 . . . . 10.0 112.159 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 73.9 mt -109.51 123.11 48.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.39 114.79 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.831 0.348 . . . . 10.0 110.875 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 36.7 tp -108.23 122.42 46.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.61 175.84 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.33 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tt -83.36 124.9 31.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 10.0 111.032 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -99.27 113.17 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.196 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.094 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.685 0.278 . . . . 10.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -85.83 130.62 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -122.39 159.63 25.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.54 126.88 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.766 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -116.32 123.08 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -104.2 141.84 35.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.831 0.348 . . . . 10.0 111.428 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -177.94 4.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.01 -12.61 52.3 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -92.53 -24.9 18.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.19 0.519 . . . . 10.0 110.463 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.33 -9.61 26.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.599 -0.81 . . . . 10.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -58.41 133.17 55.52 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.33 118.96 37.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.515 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.01 143.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.961 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -95.39 142.66 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -141.22 148.97 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.179 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.13 114.93 29.36 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.21 169.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.878 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -110.33 154.41 42.94 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.399 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.57 -28.14 86.7 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.129 1.886 . . . . 10.0 111.255 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.94 5.67 43.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.567 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.22 134.13 45.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 10.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 146.91 29.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.026 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -53.68 -41.09 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.55 -34.86 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -73.11 -36.22 66.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.99 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.32 -41.43 96.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.12 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.65 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.673 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.54 -37.34 85.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.927 0.394 . . . . 10.0 110.904 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.14 -34.72 45.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.322 0.582 . . . . 10.0 109.705 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.46 -31.38 70.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.542 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -26.09 45.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.703 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -92.69 -61.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 10.0 111.727 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -86.02 -38.5 17.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.664 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.42 21.4 11.58 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.445 -0.884 . . . . 10.0 112.629 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -87.0 121.6 71.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -55.08 133.88 60.6 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.031 2.488 . . . . 10.0 111.84 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.34 -31.53 91.28 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 10.0 113.01 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -79.18 -14.79 58.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.367 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.4 0.96 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.483 0.659 . . . . 10.0 109.503 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -94.24 127.03 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.522 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -116.8 89.23 3.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.95 121.77 23.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.493 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.84 131.61 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.277 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' B' ' 47' ' ' GLY . 71.2 t80 -123.56 118.36 27.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.774 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.34 -40.6 0.46 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' B' ' 45' ' ' PHE . . . 162.76 -3.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 153.68 21.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -91.21 133.25 35.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.9 mt -81.33 134.22 35.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.686 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -83.48 138.59 33.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.568 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.64 -46.53 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.672 -0.695 . . . . 10.0 112.737 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 30.75 3.17 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.985 -0.626 . . . . 10.0 114.12 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -124.81 163.79 21.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.418 -0.46 . . . . 10.0 110.644 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 p -107.68 169.78 8.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.709 0.29 . . . . 10.0 111.091 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.42 -33.44 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 10.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -25.82 67.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.669 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.96 -35.71 81.57 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.267 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -101.72 6.13 41.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.993 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.75 42.53 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.37 -0.832 . . . . 10.0 111.989 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.82 126.58 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.67 -0.863 . . . . 10.0 108.67 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -112.29 -168.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -68.93 140.3 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.098 -0.955 . . . . 10.0 112.015 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.58 15.21 8.7 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.26 116.53 17.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -81.15 122.12 26.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.028 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -114.56 160.83 18.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -114.4 126.35 54.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.1 tp -106.49 94.47 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.149 -0.932 . . . . 10.0 108.972 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 m -90.98 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.289 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 tp -77.53 120.19 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -84.87 102.63 13.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.13 137.48 54.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -119.16 130.21 55.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.956 0.408 . . . . 10.0 111.566 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.32 -74.11 2.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.045 -0.598 . . . . 10.0 112.253 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 C-N-CA 121.098 -0.573 . . . . 10.0 111.865 -179.752 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.945 0.402 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.34 140.27 33.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.679 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -115.05 162.51 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.888 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.93 121.33 43.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 10.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.36 110.61 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.792 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -92.15 112.33 24.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 60.8 p -80.29 -179.1 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 10.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.97 -32.0 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.775 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -17.67 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.621 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -7.82 45.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.58 134.19 49.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -117.43 110.16 17.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 32.8 pt -103.81 155.13 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 135.94 44.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.505 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -131.4 133.48 45.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -82.9 123.44 29.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -134.48 177.66 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.161 0.505 . . . . 10.0 111.747 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -127.59 158.2 70.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.147 -0.933 . . . . 10.0 108.934 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.46 -27.37 82.27 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.195 1.93 . . . . 10.0 111.02 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -4.11 59.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.788 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.0 137.89 56.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.782 0.325 . . . . 10.0 110.73 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -95.31 158.25 15.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -56.8 -38.71 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.79 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.0 -45.79 91.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -64.95 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.416 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.29 -46.2 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.37 -39.37 83.09 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.428 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.593 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -67.06 -36.32 81.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.142 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.99 -38.44 79.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.111 0.481 . . . . 10.0 109.837 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -69.29 -25.82 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.294 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.4 -23.14 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.408 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -105.44 -55.52 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -93.38 -12.28 30.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.43 28.65 69.3 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.596 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 61.0 mt -88.7 119.91 70.08 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.52 127.04 23.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.862 2.374 . . . . 10.0 111.894 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.29 -23.89 71.84 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.364 2.709 . . . . 10.0 112.08 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.19 -40.22 89.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.274 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -95.38 -0.59 52.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.422 . . . . 10.0 110.981 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.35 135.06 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.224 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -143.26 108.72 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.636 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.29 128.71 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 10.0 112.319 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -120.0 131.91 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -134.87 117.6 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.08 25.52 14.8 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.703 0.627 . . . . 10.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.81 -29.13 11.02 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.745 -0.741 . . . . 10.0 113.44 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 137.51 34.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.027 0.413 . . . . 10.0 110.564 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -79.47 124.49 28.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.087 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.8 127.01 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.433 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -73.23 143.71 47.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.755 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.54 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.908 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 56.12 5.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.743 0.306 . . . . 10.0 110.733 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -101.05 167.28 10.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.784 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.69 -32.38 74.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 10.0 110.647 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -67.72 -24.67 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.427 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -67.08 -41.76 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 10.0 110.758 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.11 10.28 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.984 -0.553 . . . . 10.0 112.096 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' ASN . . . . . 0.441 ' ND2' HE21 ' D' ' 62' ' ' GLN . 5.9 t30 54.68 41.37 31.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.316 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -75.02 118.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 10.0 110.027 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.441 HE21 ' ND2' ' D' ' 60' ' ' ASN . 73.1 mm-40 -101.74 -175.69 2.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.726 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.69 141.28 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.407 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 78.56 1.99 2.6 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.148 0.795 . . . . 10.0 113.148 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -68.18 139.53 56.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 10.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -104.2 124.44 49.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.258 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.9 134.64 46.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.577 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -96.8 128.44 43.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 10.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.3 114.57 28.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.69 168.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.201 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 39.7 tp -74.37 138.43 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.974 0.416 . . . . 10.0 111.517 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -121.75 95.67 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.928 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 tp -150.34 124.52 9.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.052 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -115.17 173.93 6.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.886 0.374 . . . . 10.0 111.173 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.86 148.49 19.83 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.792 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.0 ttp . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.847 0.356 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -87.9 132.07 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.038 0.447 . . . . 10.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -118.8 163.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.989 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -120.09 112.85 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.752 0.31 . . . . 10.0 110.92 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.26 119.97 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.138 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -107.17 171.55 7.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 10.0 111.152 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -136.42 169.82 17.06 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -73.04 -4.64 33.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 10.0 111.45 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -97.69 -4.7 36.76 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.123 0.487 . . . . 10.0 110.259 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -22.21 41.16 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.275 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -56.81 131.82 50.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.158 0.504 . . . . 10.0 112.088 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -122.82 122.91 39.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.57 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -115.0 137.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.014 0.435 . . . . 10.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.29 137.89 32.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.012 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -143.46 149.5 37.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.593 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -106.92 110.7 22.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' VAL . . . . . . . . . . . . . 15.9 t -131.26 140.58 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.533 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.66 147.01 70.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.05 -27.88 86.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.605 2.203 . . . . 10.0 112.736 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.42 6.67 47.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.8 146.72 35.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.68 0.276 . . . . 10.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.49 152.42 22.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.144 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -55.34 -36.7 41.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.964 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.12 -38.08 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.233 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -77.57 -24.34 49.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.225 0.536 . . . . 10.0 110.137 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.87 -40.89 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' E' ' 52' ' ' ASP . 86.2 mttt -61.02 -38.67 86.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.433 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.02 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.052 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -72.34 -37.96 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.021 0.439 . . . . 10.0 110.56 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.21 -31.61 50.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.405 0.621 . . . . 10.0 109.94 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -74.6 -20.9 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.964 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.69 -47.58 11.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.506 . . . . 10.0 109.92 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.7 -78.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.82 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.98 -41.2 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.988 0.366 . . . . 10.0 111.988 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.76 9.89 31.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.537 -0.839 . . . . 10.0 112.385 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.04 119.42 77.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.1 140.22 82.82 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.809 2.34 . . . . 10.0 112.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.64 -25.2 66.51 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.191 2.594 . . . . 10.0 112.054 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.49 -27.41 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.088 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -108.48 8.92 27.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -93.77 126.24 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.987 0.365 . . . . 10.0 111.987 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -138.34 104.26 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.462 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.36 135.02 37.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 10.0 112.006 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.09 124.6 69.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.293 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -118.34 106.66 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.94 32.68 19.97 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -16.66 60.67 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.746 0.308 . . . . 10.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -69.88 138.84 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -86.89 124.27 32.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.984 0.421 . . . . 10.0 111.753 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.12 140.04 29.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.98 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' E' ' 27' ' ' LYS . 1.4 m-20 -58.6 -30.76 67.46 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.72 8.6 48.46 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.908 1.123 . . . . 10.0 115.908 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -123.42 168.23 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.063 0.932 . . . . 10.0 112.099 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -107.46 173.12 6.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.682 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -35.52 74.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.002 0.43 . . . . 10.0 111.273 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -67.3 -24.24 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.368 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -75.04 -4.18 36.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.416 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -127.82 15.13 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 p30 47.75 36.58 5.89 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.72 1.007 . . . . 10.0 113.72 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.92 129.66 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.965 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -105.96 -169.22 1.55 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.95 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -74.19 135.79 42.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.548 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 69.1 10.55 7.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -64.19 135.61 56.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.727 0.299 . . . . 10.0 110.311 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -87.93 130.38 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.514 . . . . 10.0 112.327 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 mt -117.77 151.79 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.413 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -111.21 120.1 41.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.657 0.265 . . . . 10.0 110.56 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -104.14 113.06 26.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.077 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.52 -177.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.213 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 tp -82.23 131.23 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.59 99.36 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.967 0.413 . . . . 10.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.237 0.443 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.433 179.268 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.729 ' HB2' ' HG3' ' B' ' 63' ' ' ARG . 20.4 ptt? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.863 0.363 . . . . 10.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -89.91 136.9 32.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.38 151.56 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.835 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -103.83 134.24 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.581 0.229 . . . . 10.0 110.483 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' HG13 ' B' ' 13' ' ' ILE . 36.1 t -118.06 112.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.63 140.03 30.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.873 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -87.67 -102.5 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -143.53 -47.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -69.2 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -21.96 0.2 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.4 -0.905 . . . . 10.0 112.711 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -56.74 121.48 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 10.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -120.51 122.02 39.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.874 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.538 HG13 ' HB ' ' B' ' 5' ' ' VAL . 29.3 pt -102.1 150.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.11 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -117.81 124.19 47.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 110.699 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -126.88 139.96 52.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -92.41 129.0 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.73 171.76 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 53.7 mm-40 -97.7 155.17 37.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.81 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.07 -35.53 98.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.498 2.132 . . . . 10.0 112.497 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 21.49 10.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.4 m-20 -74.08 132.21 42.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -79.58 149.48 31.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.383 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.3 mm -56.27 -38.73 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.257 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 11.7 pt-20 -63.96 -27.81 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 10.0 111.097 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -77.93 -40.59 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.52 -41.8 91.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.251 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 97.0 mttt -60.45 -36.31 77.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.755 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.23 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.62 -35.84 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 10.0 109.71 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.55 -32.54 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.843 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 44.0 tt0 -69.94 -29.15 66.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.306 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -54.69 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.729 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -76.13 -60.94 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -73.45 -33.53 64.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.05 35.82 14.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.349 -0.929 . . . . 10.0 112.246 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.23 123.36 37.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.7 Cg_endo -55.83 126.78 23.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 10.0 112.288 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 42.5 Cg_exo -59.11 -28.15 87.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.462 2.775 . . . . 10.0 112.437 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -69.25 -19.59 63.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.47 8.23 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.578 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.0 117.3 29.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -111.21 99.47 8.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.8 121.47 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.834 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.467 HG22 ' HA3' ' D' ' 47' ' ' GLY . 54.5 mt -120.21 138.48 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.634 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' D' ' 46' ' ' ALA . 29.1 t80 -153.95 136.64 15.22 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.65 4.42 3.37 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA2' ' HA2' ' D' ' 47' ' ' GLY . . . 102.4 1.08 50.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 48' ' ' ARG . 62.8 mtt180 -123.13 159.2 29.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.713 0.292 . . . . 10.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.7 144.72 26.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.611 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.3 mt -94.69 118.73 32.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 71.8 mm-40 -75.74 140.4 42.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.385 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.7 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 1.8 m-20 -53.83 -44.16 70.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.822 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.07 9.72 37.74 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 114.782 0.673 . . . . 10.0 114.782 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 40.5 mmt180 -104.47 155.16 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.497 0.649 . . . . 10.0 110.166 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.0 p -98.97 166.09 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 53.6 mt -64.04 -29.59 70.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.18 0.514 . . . . 10.0 110.409 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -23.44 61.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.901 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -66.54 -37.14 84.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.134 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -97.13 -3.17 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.401 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 t30 64.48 57.0 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.64 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.45 132.83 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.383 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -102.09 174.66 5.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.966 0.412 . . . . 10.0 111.836 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 20.4 ttp-105 -68.2 144.04 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.314 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 66.97 44.62 1.95 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.795 0.684 . . . . 10.0 112.798 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -107.56 137.31 45.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.628 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 6.6 m -98.44 119.36 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 10.0 110.641 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -109.47 156.96 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.766 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.784 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 63.5 m-70 -102.69 128.79 49.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.878 0.371 . . . . 10.0 111.433 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.26 109.3 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.868 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.03 159.37 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.155 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -84.02 134.34 34.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 10.0 110.587 179.809 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.753 0.311 . . . . 10.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.841 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 57.7 mt-30 -109.46 128.88 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.508 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -112.82 155.99 13.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.424 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' D' ' 64' ' ' GLU . 84.1 m-85 -115.81 117.38 30.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.84 125.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.812 0.339 . . . . 10.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' D' ' 69' ' ' LEU . 5.7 mmtm -92.55 113.66 25.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.291 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 7' ' ' THR . . . . . 0.491 ' HA ' HD23 ' D' ' 69' ' ' LEU . 70.6 p -74.87 176.43 7.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 10.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.77 -20.84 61.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.201 0.524 . . . . 10.0 110.223 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -10.75 58.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.993 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.1 19.71 38.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.863 -0.684 . . . . 10.0 111.479 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.2 128.05 43.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.49 101.12 12.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.205 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 pt -90.82 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.347 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.98 126.92 51.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.695 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.574 HD11 HG12 ' D' ' 30' ' ' ILE . 58.1 mt -121.29 157.69 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.863 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -126.63 110.6 13.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.205 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' VAL . . . . . 0.511 HG11 HG22 ' D' ' 26' ' ' VAL . 16.8 m -140.43 -176.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.965 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 6.4 mm-40 -107.86 154.64 40.91 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.34 -27.54 81.59 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 10.0 111.485 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 1.46 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.286 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -72.13 142.56 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 10.0 110.823 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.61 31.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 45.6 mm -55.63 -46.84 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 111.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.64 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 16.4 pt-20 -71.25 -21.99 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -71.08 -39.23 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.055 0.455 . . . . 10.0 110.212 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.511 HG22 HG11 ' D' ' 17' ' ' VAL . 21.1 t -71.92 -25.71 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.383 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.02 -37.16 76.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.715 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.404 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.84 -28.48 66.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.822 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ILE . . . . . 0.574 HG12 HD11 ' D' ' 15' ' ' LEU . 16.1 mt -70.6 -33.08 51.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -73.98 -33.2 63.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.799 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.45 -23.52 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.565 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -100.89 -49.98 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -99.28 -44.81 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.27 15.96 11.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.456 -0.878 . . . . 10.0 113.554 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 50.6 mt -84.9 126.73 67.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 31.8 Cg_exo -60.69 131.48 37.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.748 2.299 . . . . 10.0 111.845 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.4 Cg_exo -55.56 -29.97 72.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.263 2.642 . . . . 10.0 112.431 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -72.58 -20.66 61.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.53 -10.38 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.979 0.418 . . . . 10.0 110.397 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 79.2 mt-30 -83.18 110.46 18.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.052 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.439 ' HB3' HG23 ' D' ' 70' ' ' VAL . 31.6 ttp85 -109.75 102.15 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.609 HD22 HD13 ' D' ' 67' ' ' LEU . 20.1 mt -91.85 124.18 35.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.451 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 44' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' D' ' 49' ' ' GLN . 38.6 mt -124.83 125.96 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.231 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.628 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 38.6 t80 -115.6 116.18 27.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.734 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 46' ' ' ALA . . . . . 0.784 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 56.21 44.19 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.145 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 47' ' ' GLY . . . . . 0.467 ' HA3' HG22 ' B' ' 44' ' ' ILE . . . 82.69 -10.71 55.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.611 -0.804 . . . . 10.0 114.364 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.412 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 69.7 mtt180 -112.53 124.66 53.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.703 0.751 . . . . 10.0 111.707 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' D' ' 44' ' ' ILE . 29.5 tt0 -64.86 143.21 58.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' D' ' 45' ' ' PHE . 37.6 mt -94.29 125.02 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.787 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.597 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 48.7 mt-10 -73.41 127.99 34.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 52' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' D' ' 24' ' ' GLU . 1.6 m-20 -50.95 -34.03 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -4.39 90.47 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.067 -0.587 . . . . 10.0 114.296 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.597 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 37.8 mmt180 -92.0 172.64 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.234 0.517 . . . . 10.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -115.22 176.88 4.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.148 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.69 -29.43 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.969 0.414 . . . . 10.0 110.02 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -33.62 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.996 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -64.32 -26.97 68.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.08 9.31 20.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 10.0 112.111 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 50.79 58.95 4.97 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.499 0.666 . . . . 10.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 68.6 mt -99.87 127.0 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -120.96 -166.89 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.206 0.527 . . . . 10.0 111.849 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 65.0 tttt -67.96 141.78 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.538 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' CE2' ' D' ' 4' ' ' PHE . 3.8 mt-10 78.5 4.43 2.6 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -71.93 142.11 49.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.0 m -107.62 131.25 54.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 67' ' ' LEU . . . . . 0.609 HD13 HD22 ' D' ' 43' ' ' LEU . 0.6 OUTLIER -107.37 135.29 49.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.281 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -90.63 109.45 20.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.931 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 69' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' D' ' 7' ' ' THR . 57.3 tp -96.47 109.4 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 10.0 109.925 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.9 m -109.09 170.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.025 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.002 0.43 . . . . 10.0 110.922 -179.789 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.039 0.447 . . . . 10.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -85.86 123.98 31.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -116.31 156.33 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 10.0 111.22 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 96.8 m-85 -120.83 113.44 20.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.342 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -104.26 134.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.692 ' HG2' HG23 ' E' ' 12' ' ' THR . 77.9 mttt -123.0 141.57 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -99.58 172.41 7.31 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.326 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.27 -25.12 67.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 10.0 111.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -82.87 -3.68 57.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.56 -8.85 68.98 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.694 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.12 123.79 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.934 0.397 . . . . 10.0 110.616 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' THR . . . . . 0.692 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.4 m -107.31 146.45 31.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.6 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -144.42 133.75 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 10.0 110.782 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -93.8 128.59 40.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.04 153.34 47.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.64 97.85 7.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.709 HG11 HG22 ' E' ' 26' ' ' VAL . 24.8 t -121.18 137.98 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.415 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -70.22 147.9 95.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.75 -31.45 85.89 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.541 2.16 . . . . 10.0 111.885 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 21.64 8.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.669 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -91.75 148.19 22.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.651 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.408 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -84.15 154.94 22.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.069 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.02 -33.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.331 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -56.17 -44.65 79.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.209 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 97.9 m-20 -68.65 -36.39 78.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.709 HG22 HG11 ' E' ' 17' ' ' VAL . 39.6 t -61.26 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.83 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' LYS . . . . . 0.656 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 90.0 mttt -58.61 -39.9 81.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.023 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' E' ' 17' ' ' VAL . 67.5 mttm -68.45 -37.38 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.919 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.13 -33.93 66.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.999 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -70.71 -22.32 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.073 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -83.79 -48.23 10.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.601 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -76.33 -54.12 7.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -84.07 -44.49 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.43 41.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.645 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -82.17 123.17 79.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 37.7 Cg_exo -59.13 139.82 92.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.427 2.085 . . . . 10.0 111.142 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.656 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 65.0 Cg_exo -54.31 -33.51 76.32 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.09 2.527 . . . . 10.0 111.912 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 7.41 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.797 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -124.47 2.43 8.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' E' ' 69' ' ' LEU . 74.3 mt-30 -101.88 152.22 21.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.391 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 42.1 ttm-85 -146.7 102.94 3.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.427 ' HB3' HD12 ' E' ' 50' ' ' LEU . 48.3 mt -87.65 131.1 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.031 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 64.8 mt -129.12 121.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.722 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.53 ' HB3' HD21 ' E' ' 50' ' ' LEU . 67.4 t80 -121.56 120.88 36.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.83 22.58 13.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.714 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.22 -3.5 76.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -105.4 128.41 53.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.795 0.331 . . . . 10.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -70.32 142.42 52.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.197 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' E' ' 45' ' ' PHE . 19.8 mt -99.41 122.08 42.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -78.91 156.74 28.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.279 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.01 -54.13 24.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.77 50.35 3.27 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 114.908 0.723 . . . . 10.0 114.908 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -144.94 164.9 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.991 0.395 . . . . 10.0 110.072 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.92 160.37 15.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.6 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.81 -27.97 69.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.079 0.466 . . . . 10.0 110.975 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.953 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -73.4 -18.52 61.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.126 0.488 . . . . 10.0 110.644 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.08 10.23 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p30 44.66 51.43 8.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -84.84 107.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -78.7 179.29 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' E' ' 63' ' ' LYS . 14.9 ttpp -71.74 138.67 48.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.085 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 27.8 mt-10 68.78 28.24 5.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.8 0.667 . . . . 10.0 112.8 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -88.57 126.15 35.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 117.05 8.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.03 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.61 131.34 52.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -97.23 133.79 41.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.792 0.33 . . . . 10.0 111.694 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 69' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' E' ' 41' ' ' GLN . 34.1 tp -121.23 116.13 24.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' E' ' 42' ' ' ARG . 13.8 m -115.33 -170.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.75 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -86.15 150.72 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.255 0.55 . . . . 10.0 111.768 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.611 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.992 0.425 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' B' ' 14' ' ' THR . 79.6 mt-30 -105.27 125.09 50.59 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.295 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -104.55 151.6 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 66' ' ' THR . 45.3 m-85 -103.62 125.3 50.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -120.93 123.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 16.4 ttmm -108.89 131.03 55.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.955 0.407 . . . . 10.0 111.02 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -86.14 -167.01 1.7 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.4 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -82.29 -10.29 59.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.727 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -94.36 -4.03 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 10.0 111.199 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 -5.63 69.42 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.307 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 17.9 ttm180 -71.28 134.69 46.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.586 0.231 . . . . 10.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -117.2 121.58 41.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.764 0.316 . . . . 10.0 110.471 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -109.55 154.26 11.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.287 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.53 HG22 ' HB3' ' B' ' 2' ' ' GLN . 3.3 m -124.79 134.45 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 10.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.8 152.23 48.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.76 0.314 . . . . 10.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.41 123.58 31.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.529 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.64 156.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.977 0.417 . . . . 10.0 111.628 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.95 155.92 35.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.983 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.79 -24.65 74.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.564 2.176 . . . . 10.0 112.062 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -98.39 2.65 48.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.62 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -64.77 125.93 26.33 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -77.48 158.16 30.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.611 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.643 HG22 ' HE3' ' B' ' 27' ' ' LYS . 47.5 mm -56.92 -41.98 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.614 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -67.17 -33.48 75.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.161 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.99 -41.01 91.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.3 t -62.44 -42.95 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.58 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' B' ' 23' ' ' ILE . 90.0 mttt -58.83 -41.63 87.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.56 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.33 90.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.417 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 58.0 mt -68.9 -39.17 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.572 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -66.61 -36.9 83.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.911 0.386 . . . . 10.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.41 -13.61 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.246 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -101.93 -58.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.757 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -90.34 -38.6 13.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.823 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -22.24 13.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.704 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.82 122.67 63.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 122.319 0.248 . . . . 10.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.5 Cg_endo -59.15 139.19 89.31 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.928 2.419 . . . . 10.0 111.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.6 Cg_exo -59.89 -30.12 91.06 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.208 2.605 . . . . 10.0 113.594 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 11.8 p-10 -71.75 -25.08 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 111.584 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.54 4.7 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.957 0.408 . . . . 10.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 75.3 mt-30 -90.41 155.32 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.789 ' HB3' HG23 ' B' ' 70' ' ' VAL . 18.4 ttt180 -144.3 103.46 3.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.48 123.78 34.45 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.422 -0.353 . . . . 10.0 111.497 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -125.33 135.11 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.726 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.414 ' HB2' HD23 ' B' ' 67' ' ' LEU . 64.8 t80 -138.09 127.22 24.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.375 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.01 16.06 7.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.176 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.11 -8.68 65.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.598 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.9 156.73 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.781 -0.246 . . . . 10.0 110.715 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.32 146.52 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.33 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' B' ' 45' ' ' PHE . 78.8 mt -89.58 111.57 22.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.772 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 49.6 mm-40 -75.68 135.57 40.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.734 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.521 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 m-20 -62.38 -19.64 63.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.019 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.94 5.15 78.97 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.358 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 17.0 mmt180 -117.1 154.28 31.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.7 p -94.96 172.35 8.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.61 -32.18 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 10.0 110.496 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -16.57 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.013 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' B' ' 55' ' ' THR . 5.2 m-20 -72.0 -21.6 61.54 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.025 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.99 9.49 18.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 61.45 38.94 15.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.685 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.19 119.07 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -111.77 -159.87 0.7 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.366 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -82.74 151.96 25.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.29 1.57 3.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.564 0.54 . . . . 10.0 112.313 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -68.66 130.03 41.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.078 0.466 . . . . 10.0 110.377 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 10.8 m -102.11 130.4 48.7 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 45' ' ' PHE . 5.0 mp -116.18 160.43 20.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.918 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -104.88 142.38 34.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 10.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.07 116.69 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.189 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' B' ' 42' ' ' ARG . 0.8 OUTLIER -127.81 175.05 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.048 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.7 160.16 19.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.956 0.407 . . . . 10.0 111.28 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.338 179.729 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.791 0.329 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.71 138.11 36.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.073 0.463 . . . . 10.0 111.718 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -127.59 177.21 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -119.6 132.04 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.792 0.329 . . . . 10.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' D' ' 67' ' ' LEU . 72.6 t -125.98 131.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' D' ' 11' ' ' LYS . 27.9 mmmt -98.81 130.02 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -81.21 -178.07 6.75 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.565 ' HG ' HD23 ' D' ' 69' ' ' LEU . 54.0 mt -69.97 -18.44 63.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.009 0.433 . . . . 10.0 110.134 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.49 -15.05 29.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.28 50.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.753 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' D' ' 6' ' ' LYS . 85.8 tttt -70.48 138.11 50.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -101.77 98.96 9.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 44.6 pt -92.41 146.91 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.113 -0.329 . . . . 10.0 110.113 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.03 117.68 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.944 0.402 . . . . 10.0 110.469 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.482 HD11 HG12 ' D' ' 30' ' ' ILE . 86.7 mt -117.41 139.96 50.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -104.07 113.08 26.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.597 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.47 169.13 21.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.434 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 12.3 mm-40 -101.03 153.44 37.73 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.76 -24.46 75.82 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.461 2.107 . . . . 10.0 111.968 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.92 3.94 51.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.6 OUTLIER -76.27 153.19 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' D' ' 55' ' ' THR . 0.8 OUTLIER -92.8 158.22 15.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.785 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.421 HD12 HD13 ' D' ' 50' ' ' LEU . 47.4 mm -60.48 -39.75 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.95 0.405 . . . . 10.0 110.274 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.922 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -70.67 -40.19 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.014 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.31 -38.4 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.5 -40.11 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.482 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.48 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.031 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.401 ' HB3' HD22 ' D' ' 15' ' ' LEU . 21.6 mttt -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.482 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ILE . . . . . 0.482 HG12 HD11 ' D' ' 15' ' ' LEU . 56.4 mt -68.32 -34.39 65.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 64.7 tt0 -74.37 -27.47 60.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.311 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -77.8 -43.14 31.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -81.19 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.55 -47.76 9.57 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.614 0.228 . . . . 10.0 111.614 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 113.27 12.45 12.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.418 -0.896 . . . . 10.0 112.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 61.8 mt -78.33 121.02 83.26 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 24.4 Cg_exo -65.1 129.73 23.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.821 2.347 . . . . 10.0 111.422 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.8 Cg_exo -55.39 -25.24 47.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.337 2.692 . . . . 10.0 112.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.41 -34.28 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.491 . . . . 10.0 110.644 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.53 9.51 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' GLN . . . . . 0.412 HE22 ' HB ' ' D' ' 30' ' ' ILE . 56.6 mt-30 -95.84 150.24 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.136 0.493 . . . . 10.0 111.996 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -166.12 97.59 0.62 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.096 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 HD13 ' D' ' 67' ' ' LEU . 66.2 mt -91.32 136.3 33.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.921 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mm -114.91 134.14 58.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.151 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' D' ' 50' ' ' LEU . 58.5 t80 -128.12 123.14 33.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.675 -0.238 . . . . 10.0 110.391 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.11 -37.64 0.37 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.92 -8.76 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.69 -0.767 . . . . 10.0 112.689 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.423 HH21 HG13 ' B' ' 70' ' ' VAL . 93.0 mtt180 -115.21 155.22 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.848 0.356 . . . . 10.0 111.232 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.04 135.33 35.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.465 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 45' ' ' PHE . 31.2 mt -79.7 117.96 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.47 146.2 40.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.47 42.09 2.57 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.411 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -131.02 153.04 49.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 77.8 p -99.47 171.51 7.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 37.8 mt -66.58 -33.17 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.035 0.445 . . . . 10.0 110.219 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -23.73 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.679 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.6 -37.02 77.44 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.286 0.565 . . . . 10.0 110.125 179.314 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.97 8.01 34.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.051 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.79 35.84 19.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.043 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.33 122.37 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -110.56 -166.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.282 0.563 . . . . 10.0 111.902 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -70.84 139.78 50.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.762 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 65.4 27.76 11.8 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -74.53 156.61 36.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 11.7 m -117.02 114.88 24.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.293 0.568 . . . . 10.0 111.355 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 67' ' ' LEU . . . . . 0.557 ' HB2' HG22 ' D' ' 5' ' ' VAL . 89.2 mt -105.72 124.14 49.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.802 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -99.84 131.05 46.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.975 0.417 . . . . 10.0 110.88 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 69' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' D' ' 8' ' ' LEU . 8.4 tp -92.52 131.63 37.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.022 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.0 154.81 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 120.826 0.346 . . . . 10.0 111.255 -179.217 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.945 0.402 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -73.11 133.01 43.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 10.0 111.978 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -113.42 166.33 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.904 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.459 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 11.0 m-85 -121.79 102.91 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.835 0.35 . . . . 10.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' E' ' 13' ' ' ILE . 25.7 t -95.13 122.27 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.092 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -120.28 163.36 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.115 0.483 . . . . 10.0 110.914 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -122.41 -166.81 1.47 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.46 HD22 HG12 ' E' ' 70' ' ' VAL . 0.6 OUTLIER -101.02 -5.48 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 110.504 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 4.9 t -99.5 -20.33 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.836 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.9 -6.6 8.9 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.183 -1.008 . . . . 10.0 113.604 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -72.03 131.47 42.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.603 0.24 . . . . 10.0 111.029 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -131.96 131.01 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.298 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' E' ' 5' ' ' VAL . 3.1 tp -131.24 134.36 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.84 125.11 45.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.536 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.07 152.64 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.911 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -98.53 110.65 23.21 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.631 HG13 ' HE3' ' E' ' 29' ' ' LYS . 38.5 t -133.59 132.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.494 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.19 147.61 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.51 -29.91 85.57 Favored 'Trans proline' 0 N--CA 1.473 0.293 0 C-N-CA 122.776 2.317 . . . . 10.0 112.395 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 9.72 14.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.555 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -84.24 163.94 19.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.481 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.514 ' O ' HG23 ' E' ' 26' ' ' VAL . 19.4 p -101.02 151.84 21.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.792 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.15 -41.16 68.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.248 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -58.06 -40.31 80.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.965 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 65.0 t30 -72.83 -35.01 67.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.557 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.526 HG22 HG11 ' E' ' 17' ' ' VAL . 62.1 t -63.49 -42.36 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 82.5 mttt -58.52 -39.32 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.308 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.68 84.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.567 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.631 ' HE3' HG13 ' E' ' 17' ' ' VAL . 28.5 mttm -63.83 -38.66 91.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.929 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.17 -34.13 64.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.508 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.69 -18.28 62.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.227 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.71 -29.3 36.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.772 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -97.8 -50.32 4.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.873 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.86 -52.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.44 -5.59 26.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.515 -0.85 . . . . 10.0 113.151 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 2.6 mp -75.61 128.37 84.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.605 0.24 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' E' ' 36' ' ' ILE . 26.5 Cg_exo -63.23 145.73 93.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.04 2.494 . . . . 10.0 112.371 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 50.7 Cg_exo -56.3 -27.68 68.15 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.353 2.702 . . . . 10.0 112.221 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -21.57 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.011 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -106.09 2.56 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.994 0.426 . . . . 10.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -96.93 118.0 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.798 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' E' ' 70' ' ' VAL . 15.4 ttt180 -117.11 98.06 6.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 177.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.641 ' HB3' HD12 ' E' ' 50' ' ' LEU . 14.5 mt -89.12 131.31 35.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.949 -0.569 . . . . 10.0 112.464 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -131.12 127.63 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.116 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.538 ' HB3' HD21 ' E' ' 50' ' ' LEU . 29.4 t80 -116.37 109.53 17.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.717 0.294 . . . . 10.0 111.415 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.91 39.78 23.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.692 -0.685 . . . . 10.0 112.235 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 2.53 90.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.99 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -109.6 125.87 53.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.357 . . . . 10.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.2 138.55 57.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.394 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.641 HD12 ' HB3' ' E' ' 43' ' ' LEU . 43.6 mt -100.78 109.12 21.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.833 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.43 143.13 44.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.414 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.0 -47.43 80.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 36.54 2.35 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 115.279 0.871 . . . . 10.0 115.279 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -132.75 168.72 17.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.635 0.717 . . . . 10.0 110.888 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -105.64 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 10.0 111.219 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 56' ' ' LEU . . . . . 0.418 HD11 HG21 ' E' ' 26' ' ' VAL . 8.4 mp -67.99 -42.2 81.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 111.218 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -62.86 -22.02 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.773 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.93 -21.77 66.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 10.0 110.921 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -115.86 19.84 14.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 p30 49.0 40.58 17.35 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.62 134.98 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.476 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 62' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' E' ' 63' ' ' LYS . 33.7 mm-40 -107.83 -140.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' E' ' 62' ' ' GLN . 24.4 ttpp -101.9 133.27 46.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 11.1 mt-10 64.06 30.9 13.81 Favored 'General case' 0 C--O 1.231 0.085 0 O-C-N 123.566 0.541 . . . . 10.0 112.056 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -71.26 137.52 48.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.295 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -79.4 104.05 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 18.1 mt -101.25 131.3 47.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.451 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -96.31 128.62 43.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.81 0.338 . . . . 10.0 111.252 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.68 111.24 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' E' ' 42' ' ' ARG . 32.0 m -111.27 171.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.828 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 34.4 tp -84.48 127.15 33.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 10.0 111.433 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' E' ' 72' ' ' ARG . 6.4 ttp180 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.01 0.433 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.23 123.14 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.267 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.18 151.2 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 66.4 m-85 -112.02 122.45 47.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.903 0.383 . . . . 10.0 111.514 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.0 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.56 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 44.3 tttm -103.75 136.26 43.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.987 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.31 174.07 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.292 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.462 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -63.02 -26.94 69.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.571 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -37.3 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.778 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 133.43 -21.26 4.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.586 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.49 116.04 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 10.0 111.561 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.8 m -108.96 116.61 32.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.462 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 pt -104.03 152.4 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.554 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -106.5 137.62 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.302 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -134.4 142.46 47.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.81 0.338 . . . . 10.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.81 116.18 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.36 171.44 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.354 . . . . 10.0 111.086 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.06 150.93 39.33 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.624 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.4 -27.77 85.85 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.398 2.066 . . . . 10.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.21 1.62 50.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.986 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -72.62 142.71 48.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.064 0.459 . . . . 10.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.1 p -90.7 160.21 15.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.106 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.4 -37.88 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.917 0.389 . . . . 10.0 110.185 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -64.05 -30.0 71.1 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.096 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.75 -42.69 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.83 -41.06 87.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.92 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.3 mttt -57.11 -43.99 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.917 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.47 98.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.312 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.43 -36.77 84.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.76 -34.35 67.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -71.46 -33.11 69.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.661 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.23 -25.28 62.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.924 0.392 . . . . 10.0 110.838 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -96.14 -53.24 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.893 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -91.92 -44.68 8.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.79 -9.03 32.07 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.538 -0.839 . . . . 10.0 113.244 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.89 125.84 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.518 0.199 . . . . 10.0 111.348 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.2 Cg_endo -59.16 130.72 37.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.054 2.503 . . . . 10.0 111.827 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.8 Cg_exo -56.58 -25.8 61.02 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 123.542 2.828 . . . . 10.0 114.25 -178.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -75.83 -21.71 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.86 -8.69 25.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.89 0.376 . . . . 10.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.5 118.91 19.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.546 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 14.8 ttm180 -110.94 96.41 6.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.98 123.31 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.309 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -120.39 130.35 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.864 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.438 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.2 t80 -121.98 130.17 53.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.576 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 66.97 -67.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.853 0.721 . . . . 10.0 111.102 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 14.23 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.531 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.59 150.14 50.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.564 -0.374 . . . . 10.0 110.918 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.57 133.01 35.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' B' ' 45' ' ' PHE . 35.5 mt -74.55 126.32 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' OH ' ' B' ' 59' ' ' TYR . 59.2 mm-40 -74.03 138.01 43.78 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.98 -43.92 73.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.738 1.014 . . . . 10.0 113.738 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.35 20.18 15.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.782 -0.723 . . . . 10.0 114.671 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.4 mmt180 -110.17 156.94 19.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.617 0.708 . . . . 10.0 110.658 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 74.6 p -99.66 168.15 10.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.81 -33.95 75.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 10.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -22.64 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.69 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -71.17 -20.88 62.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' HG2' ' B' ' 51' ' ' GLU . 65.9 m-85 -110.44 8.82 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 10.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.64 34.89 20.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -76.44 110.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -80.25 -168.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 3.3 ttp-105 -86.84 146.92 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.8 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.464 ' N ' ' HG2' ' B' ' 63' ' ' ARG . 44.9 mt-10 60.47 35.63 20.27 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.786 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -95.98 126.44 41.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.686 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.597 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 8.6 m -86.14 109.54 18.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.333 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.09 154.34 17.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.415 ' ND1' ' HB3' ' D' ' 46' ' ' ALA . 62.0 m80 -106.61 124.96 50.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.109 0.481 . . . . 10.0 111.263 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -103.84 117.01 33.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.12 -177.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.5 tp -92.98 137.77 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.189 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 70.3 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.184 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.068 0.461 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' D' ' 15' ' ' LEU . 70.3 mt-30 -84.4 133.39 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.939 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.4 163.62 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.259 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.28 127.55 54.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.896 0.379 . . . . 10.0 110.799 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.507 ' HB ' HG13 ' D' ' 13' ' ' ILE . 52.5 t -116.14 127.29 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.271 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.85 127.65 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.615 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -82.03 -179.36 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.09 -20.73 60.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.147 0.499 . . . . 10.0 109.938 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -22.66 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.43 17.12 12.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.917 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -85.07 143.28 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -109.85 111.81 23.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.821 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.507 HG13 ' HB ' ' D' ' 5' ' ' VAL . 22.1 pt -109.27 137.94 38.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.333 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -101.42 126.47 48.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.016 0.436 . . . . 10.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.598 HD21 ' HG3' ' D' ' 33' ' ' LYS . 80.1 mt -123.35 138.96 54.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.635 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -105.67 112.12 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.65 -173.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.317 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 26.2 mm-40 -110.97 153.36 43.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.818 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.8 -32.68 93.12 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.304 2.003 . . . . 10.0 111.526 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.51 10.99 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.465 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 1.1 m-20 -82.62 142.36 31.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.855 0.359 . . . . 10.0 111.432 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 155.35 27.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.085 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 46.5 mm -58.76 -44.96 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.716 0.293 . . . . 10.0 111.226 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 9.4 pt-20 -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.908 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.21 -38.75 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.164 0.507 . . . . 10.0 109.785 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.96 -34.72 72.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -58.01 -34.53 70.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.165 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.21 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD22 ' D' ' 15' ' ' LEU . 58.2 mttt -69.44 -35.33 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 10.0 110.324 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.1 -34.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.2 tt0 -68.65 -26.94 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -86.52 -43.18 12.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.334 -0.393 . . . . 10.0 111.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.598 ' HG3' HD21 ' D' ' 15' ' ' LEU . 49.2 mmtt -70.96 -50.04 38.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.836 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.42 -56.7 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.8 0.333 . . . . 10.0 111.352 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 125.52 -4.66 8.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.838 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 44.5 mt -68.76 122.95 86.76 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.657 0.265 . . . . 10.0 110.761 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 32.4 Cg_exo -61.51 136.89 66.04 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 123.055 2.503 . . . . 10.0 111.564 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 77.2 Cg_exo -52.49 -32.51 53.3 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.577 2.851 . . . . 10.0 113.591 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.99 -29.74 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 10.0 111.468 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -94.09 4.57 53.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.458 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -98.15 145.42 26.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.936 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.7 ttp85 -156.96 102.35 1.99 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.943 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' D' ' 67' ' ' LEU . 51.9 mt -88.2 132.37 34.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.96 135.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.63 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 12.9 t80 -126.54 111.01 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.101 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 46' ' ' ALA . . . . . 0.576 ' HA ' ' H ' ' B' ' 46' ' ' ALA . . . 53.35 43.22 31.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.67 -16.84 43.49 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.966 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -95.64 147.0 24.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 117.108 0.454 . . . . 10.0 111.529 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' GLN . . . . . 0.406 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 25.9 tt0 -88.02 133.84 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.09 115.94 23.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.062 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.651 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 46.4 mt-10 -71.57 129.67 39.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 52' ' ' ASP . . . . . 0.582 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 13.2 m-20 -58.77 -25.66 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.926 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.78 10.6 64.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.267 -0.492 . . . . 10.0 113.983 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 21.4 mmt180 -115.17 166.41 11.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.26 0.53 . . . . 10.0 110.102 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -104.92 168.64 8.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.217 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.99 -32.93 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 10.0 109.932 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -27.36 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.596 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -64.76 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 10.0 111.483 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.28 0.07 47.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 61.09 47.48 7.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 mt -88.24 111.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -93.97 -163.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.651 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 81.2 tttt -78.17 150.23 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 39.0 mt-10 73.99 12.04 4.33 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -77.57 149.28 34.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.417 -0.216 . . . . 10.0 110.417 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 5.2 m -114.45 117.47 31.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.093 0.473 . . . . 10.0 111.816 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 67' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' D' ' 43' ' ' LEU . 18.9 mt -108.83 149.46 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -126.57 148.33 49.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.7 -0.4 . . . . 10.0 111.747 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -115.94 152.13 17.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 10.0 111.632 -179.14 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.056 0.455 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' GLN . . . . . 0.605 ' HB2' ' HG3' ' E' ' 16' ' ' GLU . 36.3 tt0 -75.68 119.22 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.427 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.461 ' H ' HG13 ' E' ' 3' ' ' ILE . 2.0 pp -113.65 175.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.098 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' E' ' 66' ' ' THR . 96.0 m-85 -116.23 136.08 53.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 10.0 111.205 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' E' ' 13' ' ' ILE . 46.6 t -121.19 125.9 74.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -118.22 162.61 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 10.0 111.813 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -125.26 176.22 6.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.089 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.89 -23.75 62.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 10.0 110.061 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -31.58 58.89 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.49 -0.777 . . . . 10.0 110.329 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.67 -11.11 13.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 10.0 112.567 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -60.79 114.53 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.007 0.432 . . . . 10.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -103.97 146.32 28.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.366 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' E' ' 5' ' ' VAL . 11.2 tp -142.47 154.66 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.265 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p -114.08 141.74 47.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.29 128.88 12.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 16' ' ' GLU . . . . . 0.605 ' HG3' ' HB2' ' E' ' 2' ' ' GLN . 2.1 mp0 -89.3 104.88 17.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.209 -0.664 . . . . 10.0 109.209 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.69 HG13 ' HE3' ' E' ' 29' ' ' LYS . 40.7 t -121.66 140.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.462 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' E' ' 19' ' ' PRO . 42.4 mm-40 -74.12 143.26 80.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.302 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 24.5 Cg_exo -64.44 -23.79 64.63 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.695 2.263 . . . . 10.0 111.608 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 13.94 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.897 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.12 143.97 27.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.717 0.294 . . . . 10.0 110.969 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' E' ' 25' ' ' ASN . 0.1 OUTLIER -76.81 160.11 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.751 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ILE . . . . . 0.707 HG23 HD12 ' E' ' 43' ' ' LEU . 31.8 mm -57.99 -41.04 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.153 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.33 -29.32 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.975 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 4.5 m-20 -67.55 -41.4 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.622 HG22 HG11 ' E' ' 17' ' ' VAL . 20.3 t -64.68 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.58 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' LYS . . . . . 0.536 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 86.0 mttt -59.76 -41.38 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.598 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.75 92.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.229 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.69 ' HE3' HG13 ' E' ' 17' ' ' VAL . 35.1 mttm -62.32 -40.95 98.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.576 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.68 -38.09 79.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.13 0.49 . . . . 10.0 109.837 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.4 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.38 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.8 -25.44 59.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -89.71 -60.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.992 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.55 -49.7 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 5.19 13.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.434 -0.889 . . . . 10.0 112.299 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -83.88 123.51 75.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.4 Cg_exo -56.4 141.63 89.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.894 2.396 . . . . 10.0 112.275 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 50.6 Cg_exo -57.07 -33.55 95.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.374 2.716 . . . . 10.0 112.845 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -4.97 37.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.979 0.419 . . . . 10.0 111.756 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' GLN . . . . . 0.563 HE21 HD11 ' E' ' 71' ' ' LEU . 33.1 mt-30 -108.81 4.99 24.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.019 0.438 . . . . 10.0 110.101 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -110.47 140.57 44.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.249 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.7 ' HB3' HG23 ' E' ' 70' ' ' VAL . 17.9 ttm180 -130.32 97.66 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.707 HD12 HG23 ' E' ' 23' ' ' ILE . 10.3 mt -72.17 124.1 24.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.09 128.71 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.448 -0.797 . . . . 10.0 109.062 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' E' ' 50' ' ' LEU . 53.8 t80 -128.66 115.03 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.96 30.39 19.59 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.1 -9.16 78.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.642 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -96.57 127.86 42.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.663 0.268 . . . . 10.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -75.9 128.56 35.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' E' ' 43' ' ' LEU . 14.3 mt -87.34 123.13 31.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 10.0 111.245 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -75.04 139.48 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.246 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.15 -42.48 77.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.69 0.996 . . . . 10.0 113.69 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.09 17.32 17.95 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 115.042 0.777 . . . . 10.0 115.042 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 54' ' ' ARG . . . . . 0.419 ' O ' HG12 ' E' ' 23' ' ' ILE . 81.6 mtp180 -114.7 165.47 12.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.59 0.695 . . . . 10.0 110.973 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 0.6 OUTLIER -103.74 179.66 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 10.0 111.927 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.11 -36.88 72.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.939 0.4 . . . . 10.0 111.217 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.91 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.3 m-20 -58.36 -40.45 82.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.087 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 59' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 7.5 m-85 -106.53 20.04 19.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.715 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.32 39.2 4.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 31.7 mt -73.54 117.57 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.258 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -100.38 -164.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.096 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -77.81 157.13 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.003 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 61.48 28.52 17.83 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 21.1 m -89.77 161.52 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.219 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 66' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 4.7 m -117.42 118.93 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.457 . . . . 10.0 112.088 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -100.12 165.94 11.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.838 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.2 135.54 53.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.531 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -113.87 87.51 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.081 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' E' ' 42' ' ' ARG . 3.0 m -104.0 162.28 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.39 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 71' ' ' LEU . . . . . 0.563 HD11 HE21 ' E' ' 40' ' ' GLN . 39.0 tp -77.84 132.84 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.641 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.582 179.159 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.301 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.72 138.2 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.955 0.407 . . . . 10.0 111.222 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -124.96 167.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.779 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.35 129.21 56.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.551 0.215 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -110.75 114.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' B' ' 10' ' ' GLY . 46.5 tttm -113.77 141.63 47.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.5 p -96.15 -174.82 3.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.89 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.88 -24.26 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 10.0 110.525 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -75.41 -46.78 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.292 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' B' ' 6' ' ' LYS . . . 147.37 -23.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.317 -0.944 . . . . 10.0 112.831 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 22.8 ttm180 -52.98 125.29 16.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 10.0 111.969 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 0.2 OUTLIER -122.52 122.42 38.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.516 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.484 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.3 pt -113.78 141.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.794 0.331 . . . . 10.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.23 122.72 41.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.759 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.29 144.43 50.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -92.65 125.56 37.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.725 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.73 164.17 15.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -104.72 146.02 31.83 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.07 -31.16 81.78 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.48 2.12 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.41 -5.0 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -68.33 133.04 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 10.0 110.451 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 154.24 35.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.655 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.95 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.5 mm -57.72 -39.13 68.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -64.19 -29.88 70.97 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.84 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.86 -38.19 67.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.77 -37.64 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.274 -0.876 . . . . 10.0 109.839 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 31.5 mmtp -57.76 -36.71 72.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.472 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.81 92.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.578 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.63 -40.45 84.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.88 0.372 . . . . 10.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.22 -35.63 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.235 0.54 . . . . 10.0 109.647 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.475 ' HG3' ' HD3' ' B' ' 38' ' ' PRO . 1.9 tt0 -72.31 -23.32 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.555 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.71 -42.67 15.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.531 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -77.3 -56.55 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -81.72 -52.64 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.456 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 117.03 -11.21 14.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.345 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 127.2 91.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 122.521 0.329 . . . . 10.0 110.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 27.5 Cg_endo -62.85 133.65 42.83 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 10.0 112.307 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 53.4 Cg_exo -55.79 -28.68 68.37 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.563 2.842 . . . . 10.0 113.195 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -25.35 66.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -106.57 3.17 26.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.876 0.37 . . . . 10.0 111.049 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -84.48 104.01 14.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.518 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 11.7 ttt180 -100.74 96.09 7.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' B' ' 50' ' ' LEU . 28.7 mt -87.71 123.99 33.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -121.43 134.63 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -133.8 132.54 40.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.786 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.85 -67.53 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.759 0.662 . . . . 10.0 111.282 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.74 15.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.522 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -132.74 160.63 36.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 10.0 110.617 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -83.2 141.86 31.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' B' ' 43' ' ' LEU . 82.4 mt -84.0 112.54 20.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.97 120.61 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.95 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 m-20 -54.28 -32.03 55.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.76 -1.32 77.56 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.853 -0.689 . . . . 10.0 113.562 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 17.2 mmt180 -105.08 165.46 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.0 0.4 . . . . 10.0 111.436 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.9 p -99.38 -179.57 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.238 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -73.29 -35.58 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.039 0.447 . . . . 10.0 110.021 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -23.9 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.021 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.81 -39.68 92.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -97.69 7.56 46.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.16 35.1 13.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.16 123.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.14 -1.059 . . . . 10.0 108.14 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -113.71 -162.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -73.28 143.15 47.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.792 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.27 20.65 12.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -85.14 130.17 34.66 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.0 m -91.19 125.06 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 10.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 50' ' ' LEU . 5.1 mp -110.77 150.03 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.528 ' ND1' ' HD2' ' D' ' 48' ' ' ARG . 76.1 m-70 -107.77 128.77 54.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.241 0.543 . . . . 10.0 112.411 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -99.41 127.31 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.088 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.68 150.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.05 113.13 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 30.1 ttp180 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.693 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.492 ' SD ' ' HA ' ' D' ' 62' ' ' GLN . 41.6 ttp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.929 0.395 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -123.33 129.66 51.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.966 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.62 160.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -115.2 113.1 23.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.478 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -99.36 130.89 47.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -109.66 112.81 25.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 10.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 50.5 p -75.99 176.49 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' D' ' 70' ' ' VAL . 46.3 mt -68.36 -23.94 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 10.0 110.334 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -6.19 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.399 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.38 28.23 53.17 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.77 132.85 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.599 0.238 . . . . 10.0 110.387 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 110.08 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.242 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 51.7 mt -110.25 121.11 62.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.03 133.37 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.425 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 mt -134.02 138.07 45.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -87.42 121.19 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -137.18 168.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.265 0.555 . . . . 10.0 112.143 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -112.29 155.31 43.79 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.092 -0.958 . . . . 10.0 108.457 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.68 -33.29 93.45 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.13 1.887 . . . . 10.0 111.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.7 8.15 33.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.982 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.35 136.82 42.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' THR . . . . . 0.449 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -84.79 150.9 24.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.757 0.313 . . . . 10.0 111.743 -178.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.89 -45.97 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.359 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.79 -24.71 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.188 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.28 -44.5 29.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.759 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 22' ' ' THR . 22.3 t -64.88 -32.7 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.189 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' LYS . . . . . 0.799 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 73.5 mttt -57.03 -35.47 69.33 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.887 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.29 79.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.626 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.85 -37.8 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' D' ' 26' ' ' VAL . 71.5 mt -64.91 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.859 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.12 -29.66 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.84 -28.99 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.577 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -90.53 -43.38 10.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.424 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.86 -83.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.29 -28.62 0.34 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.008 -1.092 . . . . 10.0 113.643 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.17 122.72 37.88 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 116.646 0.223 . . . . 10.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.65 137.81 79.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.242 2.628 . . . . 10.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.799 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 48.8 Cg_exo -58.55 -25.17 73.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.286 2.657 . . . . 10.0 112.823 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.97 -40.52 95.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.013 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.25 -27.13 38.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.62 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.26 128.41 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.57 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.401 ' HB3' HG23 ' D' ' 70' ' ' VAL . 28.1 ttp85 -127.65 101.2 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.02 123.55 29.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.784 -0.643 . . . . 10.0 112.471 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 41.7 mm -118.11 129.3 74.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.414 -0.812 . . . . 10.0 108.976 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD11 ' D' ' 50' ' ' LEU . 23.5 t80 -107.82 88.31 2.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.709 0.29 . . . . 10.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.74 51.93 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 -45.9 1.33 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.608 -0.806 . . . . 10.0 114.507 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 50.8 mtt180 -87.45 140.75 29.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -82.98 141.1 32.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.887 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' D' ' 45' ' ' PHE . 12.6 mt -101.68 142.86 32.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.961 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.553 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 70.5 mt-10 -82.02 147.76 28.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.52 -42.69 95.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.47 49.78 4.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.577 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.553 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 27.1 mmt180 -131.76 154.77 48.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.695 0.283 . . . . 10.0 110.535 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.57 173.83 7.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -79.88 -18.93 49.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -10.68 57.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 110.819 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.05 -56.45 6.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.495 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 59' ' ' TYR . . . . . 0.411 ' CG ' HD22 ' D' ' 50' ' ' LEU . 92.8 m-85 -91.56 9.88 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.739 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 64.33 60.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.345 0.593 . . . . 10.0 112.184 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -107.03 114.02 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.492 ' HA ' ' SD ' ' D' ' 1' ' ' MET . 4.9 mt-30 -119.2 -155.72 0.62 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.818 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 70.7 tttt -74.9 142.02 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.57 0.224 . . . . 10.0 110.434 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 15.5 mt-10 77.44 3.83 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.393 -0.821 . . . . 10.0 112.84 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -72.84 142.54 48.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -105.09 129.5 53.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.42 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.37 117.57 30.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -91.66 139.31 30.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.57 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 mt -104.52 143.52 32.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.506 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.555 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.8 m -136.13 178.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.287 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.68 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 1' ' ' MET . . . . . 0.689 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 42.3 ttp . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.836 0.35 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.28 119.63 29.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.445 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.409 HD12 HD12 ' E' ' 67' ' ' LEU . 44.7 pt -92.15 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.351 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG3' ' E' ' 64' ' ' GLU . 53.8 m-85 -124.07 92.62 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 10.0 111.514 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.21 123.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' E' ' 66' ' ' THR . 94.6 mttt -124.21 138.35 54.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.092 0.473 . . . . 10.0 111.844 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -100.96 159.49 15.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.287 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.674 HD22 HG12 ' E' ' 70' ' ' VAL . 1.9 pt? -69.32 -12.05 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.32 -10.68 59.0 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.83 0.347 . . . . 10.0 111.293 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 49.72 1.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.869 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 11' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' E' ' 6' ' ' LYS . 1.5 tmtp? -134.99 136.12 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 10.8 m -124.98 127.59 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.732 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tp -121.14 133.93 66.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.431 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' E' ' 33' ' ' LYS . 17.6 p -95.11 137.79 33.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.145 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.86 145.55 34.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.532 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -88.99 112.71 23.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.017 0.437 . . . . 10.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.426 HG11 HD13 ' E' ' 56' ' ' LEU . 51.4 t -128.53 139.44 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.078 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 66.7 mm-40 -83.91 153.38 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.23 -17.28 56.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.493 2.129 . . . . 10.0 112.074 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -108.81 12.72 25.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.7 OUTLIER -71.81 148.65 46.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.989 0.423 . . . . 10.0 111.422 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.445 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.6 OUTLIER -90.46 155.63 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.02 -43.52 89.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.36 . . . . 10.0 110.929 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -62.64 -33.59 75.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.924 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 5.8 t-20 -69.94 -40.49 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.076 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.445 HG23 ' O ' ' E' ' 22' ' ' THR . 63.6 t -62.73 -42.75 97.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 81.8 mttt -58.63 -39.59 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.271 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.36 94.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.14 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' E' ' 25' ' ' ASN . 58.1 mttt -65.62 -41.05 93.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.66 -35.46 75.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.181 0.515 . . . . 10.0 110.021 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 55.6 tt0 -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.934 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -82.16 -42.04 19.59 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' E' ' 14' ' ' THR . 30.4 mtpp -70.44 -53.24 17.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -97.62 -29.42 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 96.47 26.39 10.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.774 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.91 118.33 57.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.8 Cg_exo -56.88 140.43 91.74 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.889 2.393 . . . . 10.0 112.029 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 52.3 Cg_exo -54.63 -32.79 76.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.322 2.681 . . . . 10.0 112.515 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.27 -34.42 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.237 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.19 2.93 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.647 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -94.75 101.71 13.56 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 45.7 ttm-85 -97.3 88.73 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.442 -0.947 . . . . 10.0 108.442 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.417 ' HB3' HD12 ' E' ' 50' ' ' LEU . 78.9 mt -79.47 119.42 22.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.434 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -117.67 135.54 57.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.736 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.46 ' HB3' HD21 ' E' ' 50' ' ' LEU . 81.7 t80 -133.55 111.09 10.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.593 -0.276 . . . . 10.0 110.32 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 36.21 16.56 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.278 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.54 -7.77 79.74 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.987 -0.625 . . . . 10.0 113.708 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -111.62 128.2 55.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.037 0.418 . . . . 10.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.32 143.13 50.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 10.0 110.422 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' E' ' 45' ' ' PHE . 49.1 mt -85.85 107.4 17.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -66.76 141.6 57.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.379 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.73 -43.93 93.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.666 0.988 . . . . 10.0 113.666 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.87 41.44 2.18 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 115.07 0.788 . . . . 10.0 115.07 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 54' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' E' ' 59' ' ' TYR . 75.8 mtp180 -144.16 173.17 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.458 0.629 . . . . 10.0 110.449 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.562 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.8 p -104.96 175.04 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 10.0 111.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' HB ' ' E' ' 61' ' ' ILE . 0.9 OUTLIER -70.87 -35.11 72.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 10.0 110.651 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -15.81 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.5 OUTLIER -61.95 -33.35 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.943 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 59' ' ' TYR . . . . . 0.458 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 24.0 m-85 -106.88 19.36 20.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.454 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 45.91 44.39 11.12 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.259 0.837 . . . . 10.0 113.259 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 61' ' ' ILE . . . . . 0.527 ' HB ' ' HG ' ' E' ' 56' ' ' LEU . 69.2 mt -75.52 107.11 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -85.42 -173.56 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.689 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 1.0 OUTLIER -66.96 140.05 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.796 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG3' ' HE2' ' E' ' 4' ' ' PHE . 1.0 OUTLIER 58.39 59.19 3.09 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.73 0.644 . . . . 10.0 112.165 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -109.95 141.41 42.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.848 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 66' ' ' THR . . . . . 0.548 HG23 ' HD2' ' E' ' 6' ' ' LYS . 10.7 m -78.15 118.84 20.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.758 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 67' ' ' LEU . . . . . 0.409 HD12 HD12 ' E' ' 3' ' ' ILE . 95.3 mt -111.59 108.6 18.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -74.78 130.73 39.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.612 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.23 117.44 25.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.783 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' E' ' 42' ' ' ARG . 9.7 m -123.72 -179.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.295 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.3 140.04 42.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.947 0.403 . . . . 10.0 111.068 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 73.3 ttt-85 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.59 0.233 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -76.86 114.86 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' B' ' 15' ' ' LEU . 12.0 pt -122.02 145.21 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.335 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -116.44 97.84 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.431 . . . . 10.0 111.293 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.742 ' HB ' HG13 ' B' ' 13' ' ' ILE . 15.0 t -99.77 118.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -110.69 128.41 55.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.083 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -72.8 176.14 5.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.585 -0.279 . . . . 10.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 70' ' ' VAL . 3.2 pp -60.19 -23.59 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -44.15 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 10.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.34 -6.85 1.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.897 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 11' ' ' ARG . 10.9 ttm180 -64.54 123.98 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.776 0.288 . . . . 10.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 125.51 44.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.294 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.742 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.8 pt -110.51 135.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -102.53 135.87 43.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.053 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.456 ' HB2' HD11 ' B' ' 3' ' ' ILE . 2.9 mt -145.86 157.83 43.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.357 . . . . 10.0 110.966 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -101.55 102.25 12.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.72 151.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 10.0 111.528 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.29 151.47 37.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.31 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.92 -31.0 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.573 2.182 . . . . 10.0 112.159 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.36 10.36 12.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.124 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -82.81 131.94 35.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.648 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -78.73 147.36 33.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.693 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' B' ' 50' ' ' LEU . 45.3 mm -56.07 -33.94 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.648 ' HG3' ' HB ' ' B' ' 22' ' ' THR . 0.0 OUTLIER -60.23 -40.88 91.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.742 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.59 -40.0 64.2 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -54.8 -44.7 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.357 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.1 mtmt -66.94 -37.71 84.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -30.47 71.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.389 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -65.74 -45.59 82.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.804 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.83 -34.74 72.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.295 0.569 . . . . 10.0 110.595 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -44.45 10.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.04 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.423 ' HD2' HD21 ' B' ' 15' ' ' LEU . 64.2 tttp -59.57 -56.39 22.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.704 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 127.44 2.0 6.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.243 -0.98 . . . . 10.0 113.04 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.73 119.1 72.23 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.9 Cg_endo -55.42 133.86 60.55 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.921 2.414 . . . . 10.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 33.9 Cg_exo -62.77 -29.04 76.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.206 2.604 . . . . 10.0 112.899 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -72.61 -18.86 61.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 11.1 mt-30 -104.56 1.58 29.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.96 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 78.4 mt-30 -88.37 128.52 35.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.381 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HB3' HG23 ' B' ' 70' ' ' VAL . 11.0 ttt180 -119.16 88.27 2.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.818 0.342 . . . . 10.0 110.643 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 50' ' ' LEU . 21.0 mt -83.56 112.14 19.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.505 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.33 128.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.341 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.8 t80 -131.43 130.5 42.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.688 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.25 21.67 11.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.621 0.576 . . . . 10.0 112.062 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.32 8.07 78.61 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.159 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -122.0 150.93 41.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 10.0 111.471 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.77 135.15 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' B' ' 45' ' ' PHE . 40.0 mt -81.55 115.92 21.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.854 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.54 148.88 42.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.17 -52.36 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.53 25.88 2.36 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 114.979 0.752 . . . . 10.0 114.979 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -120.18 155.22 33.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.425 0.612 . . . . 10.0 110.499 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -102.27 -179.89 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.746 0.308 . . . . 10.0 110.403 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 61' ' ' ILE . 59.2 mt -69.28 -35.26 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 10.0 109.724 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -21.25 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.367 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.4 -42.12 83.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.497 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -95.65 14.68 22.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 t30 63.15 28.23 15.91 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.846 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.0 mt -70.39 120.67 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -116.34 -161.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.41 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.6 ttp-105 -73.96 142.35 45.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.885 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.76 15.22 10.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.507 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -77.58 133.48 38.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.282 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -95.13 132.48 40.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 10.0 112.017 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.72 138.94 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -101.19 121.32 41.64 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.03 88.13 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.222 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' B' ' 42' ' ' ARG . 16.6 m -93.19 -173.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.656 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 tp -82.53 135.4 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 10.0 110.763 179.658 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.44 ' HG3' ' HB2' ' D' ' 63' ' ' LYS . 26.3 ttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.031 0.443 . . . . 10.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.525 ' HG2' ' HG3' ' D' ' 16' ' ' GLU . 60.2 mt-30 -81.63 120.75 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.282 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.76 157.07 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.89 135.46 54.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 10.0 111.891 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.404 HG22 HD12 ' D' ' 67' ' ' LEU . 43.3 t -122.59 125.19 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -103.24 126.12 50.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.876 0.369 . . . . 10.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 40.1 p -89.83 177.72 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.146 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' D' ' 70' ' ' VAL . 96.2 mt -76.1 -20.5 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.52 . . . . 10.0 110.652 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.18 -10.23 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.74 36.33 7.92 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.954 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -121.54 140.25 52.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.322 . . . . 10.0 110.717 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -108.46 116.25 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.893 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -100.56 135.54 36.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -97.06 117.75 31.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -117.11 149.46 40.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 110.97 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' D' ' 2' ' ' GLN . 3.7 mt-10 -123.43 87.18 2.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.199 0.523 . . . . 10.0 110.449 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -112.29 170.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.861 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.48 151.89 38.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.3 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 31.8 Cg_exo -60.68 -22.19 72.09 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.231 . . . . 10.0 112.231 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -82.96 -9.63 59.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.748 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.74 141.27 42.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.472 . . . . 10.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -83.37 162.94 20.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.226 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.9 -37.79 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 10.0 110.233 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 17.7 pt-20 -62.85 -26.69 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.362 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -73.42 -37.88 65.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.455 . . . . 10.0 109.773 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.24 -40.3 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.087 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -55.69 -41.25 73.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.698 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.31 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.677 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -70.04 -38.32 75.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.26 -38.26 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.169 0.509 . . . . 10.0 109.959 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 50.5 tt0 -70.1 -32.95 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.076 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.49 -42.11 65.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.566 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -85.23 -58.3 2.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -82.23 -41.78 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.001 0.371 . . . . 10.0 112.001 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 102.79 29.83 5.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.209 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -103.52 115.42 63.69 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.3 Cg_exo -56.7 135.23 69.35 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.752 2.302 . . . . 10.0 111.623 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 54.1 Cg_exo -54.31 -28.37 52.58 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.302 2.668 . . . . 10.0 112.756 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -66.1 -32.52 74.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.217 0.532 . . . . 10.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -94.33 3.22 55.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.586 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -95.17 126.35 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.335 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -137.4 100.22 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 69' ' ' LEU . 4.4 mp -96.32 128.64 43.43 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -110.75 134.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.345 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.435 ' CE2' HG12 ' D' ' 61' ' ' ILE . 38.7 t80 -113.44 89.97 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.831 -0.348 . . . . 10.0 111.738 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.38 -22.24 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 10.0 114.263 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.63 -56.76 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.525 -0.63 . . . . 10.0 111.525 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' HE1' ' D' ' 59' ' ' TYR . 5.3 mtt180 -73.12 144.06 47.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.725 0.298 . . . . 10.0 110.346 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.02 139.41 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.477 HD11 HD22 ' D' ' 67' ' ' LEU . 86.2 mt -86.14 115.66 23.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.462 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 30.4 mt-10 -81.87 143.52 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -38.63 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.12 12.68 57.53 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.088 -0.577 . . . . 10.0 114.001 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 34.1 mmt180 -101.22 151.87 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.016 0.408 . . . . 10.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 25.9 p -104.99 178.08 4.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 34.1 mt -66.85 -37.52 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 10.0 110.579 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -22.01 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.792 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.56 -34.09 72.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.014 0.435 . . . . 10.0 110.884 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 59' ' ' TYR . . . . . 0.528 ' HE1' ' HD2' ' D' ' 48' ' ' ARG . 69.7 m-85 -118.27 6.95 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.269 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.09 39.75 22.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.274 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 61' ' ' ILE . . . . . 0.435 HG12 ' CE2' ' D' ' 45' ' ' PHE . 53.1 mt -68.7 124.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -107.26 -166.13 1.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.288 0.566 . . . . 10.0 112.291 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.44 ' HB2' ' HG3' ' D' ' 1' ' ' MET . 80.7 tttt -74.28 153.43 39.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.382 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.43 6.26 5.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 28.2 m -68.07 146.92 53.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 10.0 110.466 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -112.08 111.55 22.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.155 0.502 . . . . 10.0 111.713 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 67' ' ' LEU . . . . . 0.477 HD22 HD11 ' D' ' 50' ' ' LEU . 69.8 mt -91.7 136.16 33.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.294 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -99.61 112.28 24.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.143 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 69' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 43' ' ' LEU . 1.4 tt -96.58 96.07 8.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.845 0.355 . . . . 10.0 110.527 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.535 ' HA ' HD21 ' D' ' 8' ' ' LEU . 31.2 m -91.47 175.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.416 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 71' ' ' LEU . . . . . 0.463 ' HB2' HD11 ' D' ' 8' ' ' LEU . 32.2 tp . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 120.987 0.422 . . . . 10.0 111.873 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.916 0.389 . . . . 10.0 110.565 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -88.86 120.67 30.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.15 152.95 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.116 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.415 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 24.4 m-85 -112.52 113.48 25.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 10.0 111.424 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' E' ' 13' ' ' ILE . 46.5 t -101.64 119.04 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.691 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' E' ' 12' ' ' THR . 95.7 mttt -115.03 133.51 55.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.777 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.0 -170.2 2.36 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.489 HD22 HG12 ' E' ' 70' ' ' VAL . 0.7 OUTLIER -95.32 0.83 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.17 0.509 . . . . 10.0 110.152 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -8.31 36.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.45 -1.39 55.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.21 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.29 152.49 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.753 0.311 . . . . 10.0 110.581 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 12' ' ' THR . . . . . 0.409 HG23 ' HG2' ' E' ' 6' ' ' LYS . 21.9 m -139.54 130.0 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.167 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 13' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' E' ' 5' ' ' VAL . 8.1 tt -124.15 141.53 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.774 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -100.09 134.1 43.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.953 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' LEU . . . . . 0.61 HD11 HG12 ' E' ' 30' ' ' ILE . 75.4 mt -128.71 139.03 52.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -101.39 110.69 22.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.919 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.425 HG11 HG22 ' E' ' 26' ' ' VAL . 14.7 m -140.54 179.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.582 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 18' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 65.1 mm-40 -110.1 152.23 42.98 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.27 -28.69 87.37 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.424 2.082 . . . . 10.0 112.176 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -83.19 -4.67 58.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.178 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.5 OUTLIER -69.01 150.81 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.843 0.354 . . . . 10.0 110.528 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.7 p -91.6 161.16 15.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.596 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -58.3 -45.1 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.87 -36.27 78.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.795 0.331 . . . . 10.0 110.718 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.35 -39.22 93.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.14 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.542 HG21 HD11 ' E' ' 56' ' ' LEU . 67.9 t -72.14 -35.85 54.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.926 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.29 -37.07 71.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.833 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.63 99.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.291 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -65.87 -33.81 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.427 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ILE . . . . . 0.61 HG12 HD11 ' E' ' 15' ' ' LEU . 51.8 mt -66.37 -41.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.504 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.73 -26.8 61.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.517 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -24.26 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -105.83 -56.62 2.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.792 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -78.54 -48.49 15.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.906 0.384 . . . . 10.0 111.423 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.66 -9.86 30.2 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.907 -0.663 . . . . 10.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.54 124.38 88.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.189 -0.301 . . . . 10.0 110.189 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.427 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.0 Cg_exo -60.23 140.2 90.92 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.767 2.311 . . . . 10.0 111.668 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.22 -32.22 79.55 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.316 2.677 . . . . 10.0 112.534 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.52 -23.71 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.44 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -97.77 -3.2 39.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.531 . . . . 10.0 110.185 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 41' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 80.1 mt-30 -90.6 124.69 35.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.429 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 10.3 ttm-85 -125.23 102.64 7.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.444 ' HB3' HD12 ' E' ' 50' ' ' LEU . 13.8 mt -81.91 129.19 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.221 0.534 . . . . 10.0 111.931 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.71 124.99 70.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.596 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.629 ' HB3' HD21 ' E' ' 50' ' ' LEU . 51.0 t80 -126.08 118.91 26.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.993 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.38 34.74 15.43 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.686 0.616 . . . . 10.0 111.663 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.59 11.22 85.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.382 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -119.97 134.11 55.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.826 0.313 . . . . 10.0 111.323 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.53 131.49 43.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.519 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.3 mt -88.47 146.23 25.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.039 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -82.39 153.26 25.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.026 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.91 -43.44 62.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.033 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.21 53.02 2.49 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 10.0 114.625 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 54' ' ' ARG . . . . . 0.429 ' HB2' ' OH ' ' E' ' 59' ' ' TYR . 62.1 mtp180 -140.1 168.94 18.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.963 0.381 . . . . 10.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 66.7 p -101.29 173.68 6.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.825 0.345 . . . . 10.0 111.603 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 56' ' ' LEU . . . . . 0.542 HD11 HG21 ' E' ' 26' ' ' VAL . 8.1 mp -70.63 -34.16 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.71 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -69.62 -19.95 63.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.273 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.32 -23.31 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.912 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HB2' HG13 ' E' ' 61' ' ' ILE . 22.4 m-85 -113.34 16.89 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 p30 47.51 36.36 5.13 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 61' ' ' ILE . . . . . 0.45 HG13 ' HB2' ' E' ' 59' ' ' TYR . 80.9 mt -67.59 121.62 17.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.086 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -96.07 -174.59 3.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.75 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 13.1 ttpp -69.77 131.28 44.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.436 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 42.6 mt-10 61.37 46.46 7.66 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.19 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -82.76 162.87 21.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.498 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -95.51 97.6 9.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 10.0 111.207 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.67 120.89 39.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.761 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 68' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' E' ' 6' ' ' LYS . 85.0 m-70 -91.78 138.32 31.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.809 0.337 . . . . 10.0 110.719 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.22 121.28 37.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.489 HG12 HD22 ' E' ' 8' ' ' LEU . 28.3 m -126.74 -178.94 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.059 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.07 145.07 46.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.931 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 12.8 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.054 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.032 0.444 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.3 123.88 47.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.721 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -111.51 167.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -111.86 144.39 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 10.0 111.274 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -124.5 117.49 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 42.7 tttm -111.81 137.26 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 10.0 112.349 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.2 p -88.32 -168.74 2.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.987 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -88.19 -20.59 25.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.034 0.445 . . . . 10.0 110.365 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -77.2 -27.74 53.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.433 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 121.46 2.1 10.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.723 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -79.31 130.27 35.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -125.75 115.73 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 10.0 110.842 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 pt -105.38 166.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.349 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -123.28 135.5 54.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.26 147.28 50.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.618 0.247 . . . . 10.0 111.568 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -87.07 126.69 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.96 164.26 28.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.084 0.469 . . . . 10.0 110.976 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 80.9 mm-40 -109.77 153.21 43.13 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.714 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.29 -26.11 80.67 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.61 2.207 . . . . 10.0 111.717 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -98.97 14.12 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.651 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 m-20 -77.1 133.83 38.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.837 0.351 . . . . 10.0 110.677 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -86.03 153.81 21.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.185 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.4 mm -59.19 -34.39 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 10.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.666 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 12.8 pt-20 -62.45 -35.02 77.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.439 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 8.0 t-20 -73.95 -36.58 64.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.33 -42.85 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.629 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.23 -41.19 88.12 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.633 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.752 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -64.99 -39.95 94.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 10.0 110.435 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.02 -37.47 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.997 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -71.94 -28.83 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.97 -37.24 69.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.566 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -95.74 -42.86 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -97.17 -34.68 11.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.12 60.8 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.223 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.82 119.65 62.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 10.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 19.3 Cg_endo -59.86 132.24 43.99 Favored 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 123.131 2.554 . . . . 10.0 112.762 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.2 Cg_exo -57.88 -32.06 94.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.218 2.612 . . . . 10.0 112.651 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.2 -24.26 66.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.548 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 6.2 mt-30 -103.29 4.63 36.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 10.0 110.852 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 71.8 mt-30 -89.48 116.84 27.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -119.04 74.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.04 122.27 19.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.937 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.698 HD12 HG21 ' B' ' 70' ' ' VAL . 31.8 mt -123.21 128.41 74.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.663 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' HD21 ' B' ' 50' ' ' LEU . 58.7 t80 -120.58 135.42 55.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.544 ' HA ' ' NE2' ' D' ' 68' ' ' HIS . . . 68.52 -71.03 0.12 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.768 0.667 . . . . 10.0 111.015 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.55 15.95 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.402 -0.679 . . . . 10.0 111.402 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -130.45 154.9 47.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 10.0 110.691 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' B' ' 44' ' ' ILE . 24.8 tt0 -81.56 138.96 35.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.473 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.423 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.5 mt -85.15 122.46 29.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.073 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -88.04 139.42 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.666 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 4.9 m-20 -57.95 -23.81 55.27 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.11 -2.85 87.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.266 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -104.32 163.98 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.56 -0.376 . . . . 10.0 110.997 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 7.9 p -105.99 173.12 6.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.648 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.44 -39.25 93.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.08 0.467 . . . . 10.0 111.04 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.3 m -75.51 -5.88 47.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -73.52 -31.44 63.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.0 13.69 25.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.159 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 58.79 49.04 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.457 -0.792 . . . . 10.0 112.065 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -91.13 113.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.13 -162.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.888 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -63.26 146.5 53.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.026 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 58.23 45.91 16.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.0 m -108.98 124.89 51.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.848 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -96.36 118.12 32.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.671 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.01 141.88 33.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.548 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 8.7 m-70 -100.53 128.5 46.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.229 0.538 . . . . 10.0 112.07 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -89.51 97.61 11.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.163 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.698 HG21 HD12 ' B' ' 44' ' ' ILE . 84.6 t -77.97 138.87 19.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.611 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.74 130.16 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.87 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.771 0.32 . . . . 10.0 110.731 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -107.23 123.75 48.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.175 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.8 162.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.162 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -110.79 123.17 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.968 0.413 . . . . 10.0 110.403 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.664 ' HB ' HG13 ' D' ' 13' ' ' ILE . 96.5 t -108.73 118.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.55 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -97.63 115.46 27.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.974 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -83.35 171.47 13.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.715 0.293 . . . . 10.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' D' ' 70' ' ' VAL . 80.5 mt -66.83 -21.69 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.103 0.477 . . . . 10.0 111.083 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -9.25 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.764 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.99 21.09 47.59 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.457 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -99.34 134.21 42.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 0.4 OUTLIER -108.69 115.32 29.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.72 0.295 . . . . 10.0 110.996 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.664 HG13 ' HB ' ' D' ' 5' ' ' VAL . 6.2 pt -108.62 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.269 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.85 140.32 39.86 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 15' ' ' LEU . 23.1 mt -128.46 151.3 49.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.54 0.21 . . . . 10.0 111.509 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.93 112.96 26.03 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.032 -1.099 . . . . 10.0 108.032 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.91 178.16 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -123.1 152.1 62.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.7 -31.63 80.7 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.59 2.194 . . . . 10.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -100.81 24.17 9.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.419 . . . . 10.0 111.745 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.58 156.87 24.97 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -102.0 151.32 22.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.906 0.384 . . . . 10.0 111.876 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 43.5 mm -58.27 -39.37 73.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.989 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.91 -34.92 73.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.281 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.02 -34.93 66.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.999 0.428 . . . . 10.0 109.964 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 22' ' ' THR . 56.4 t -61.78 -43.53 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.733 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 93.4 mttt -59.95 -38.29 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.94 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.26 82.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -68.07 -36.02 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.726 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -68.25 -32.42 55.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.319 0.581 . . . . 10.0 109.454 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.6 tt0 -74.12 -33.93 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.247 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -72.66 -37.53 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.274 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -77.08 -71.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.37 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -79.04 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.08 0.467 . . . . 10.0 111.224 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 124.71 19.33 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.195 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 38.2 mt -80.42 127.34 76.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.479 -0.193 . . . . 10.0 110.479 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 36' ' ' ILE . 38.7 Cg_exo -59.04 123.55 13.72 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.868 2.378 . . . . 10.0 111.794 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.503 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 52.9 Cg_exo -57.82 -29.19 85.2 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.333 2.688 . . . . 10.0 112.489 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.1 -27.11 67.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.459 . . . . 10.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -95.91 -7.83 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 78.8 mt-30 -79.72 125.51 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.695 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.459 ' HB3' HG23 ' D' ' 70' ' ' VAL . 9.3 ttp85 -122.83 90.83 3.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' D' ' 50' ' ' LEU . 42.8 mt -73.97 122.81 23.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 10.0 112.807 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 44' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' D' ' 68' ' ' HIS . 21.7 mm -114.72 141.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -133.15 101.98 5.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.719 0.295 . . . . 10.0 110.535 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 58.01 52.53 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.462 -0.79 . . . . 10.0 112.307 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 -49.21 3.23 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.747 -0.74 . . . . 10.0 113.742 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' HA ' ' B' ' 70' ' ' VAL . 56.1 mtt180 -84.26 140.85 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.998 0.399 . . . . 10.0 111.724 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 49' ' ' GLN . . . . . 0.457 ' HG3' HD13 ' D' ' 44' ' ' ILE . 12.1 tt0 -76.23 150.3 37.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.464 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' D' ' 43' ' ' LEU . 86.3 mt -94.15 143.61 26.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.301 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.488 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 85.0 mt-10 -98.43 137.78 36.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.929 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 52' ' ' ASP . . . . . 0.523 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 4.3 m-20 -59.81 -42.04 92.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.27 39.05 2.61 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.439 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.488 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 39.1 mmt180 -134.54 156.6 48.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 39.9 p -93.6 170.66 9.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.292 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.88 -24.39 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.17 0.51 . . . . 10.0 110.427 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -22.73 42.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.182 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -58.65 -40.77 84.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.462 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -108.9 8.64 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.03 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.8 64.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 10.0 113.533 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -97.84 114.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.76 -1.2 . . . . 10.0 107.76 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -99.51 -151.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.583 ' HE3' ' HG3' ' D' ' 64' ' ' GLU . 12.8 tptt -86.23 143.72 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.807 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' HE3' ' D' ' 63' ' ' LYS . 36.2 mt-10 69.57 7.15 6.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.525 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.2 m -73.39 128.35 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.911 0.386 . . . . 10.0 110.1 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 88.6 m -92.95 130.28 38.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.559 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -96.8 143.28 27.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 68' ' ' HIS . . . . . 0.758 ' HB2' ' HB ' ' D' ' 44' ' ' ILE . 69.6 m-70 -102.39 139.45 37.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.442 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.9 141.7 50.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 10.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.569 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.4 m -134.5 154.86 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.345 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 10.0 111.685 -179.182 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.835 0.35 . . . . 10.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -93.44 120.42 33.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.378 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -103.59 162.04 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.938 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' E' ' 64' ' ' GLU . 67.1 m-85 -121.81 109.14 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.097 0.475 . . . . 10.0 111.275 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.75 128.66 48.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.657 ' HD2' HG23 ' E' ' 66' ' ' THR . 88.7 mttt -123.98 139.22 54.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.054 0.454 . . . . 10.0 111.229 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 7' ' ' THR . . . . . 0.503 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 0.9 OUTLIER -94.18 174.59 7.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 13.64 0.26 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -119.4 -4.11 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.492 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -11.16 60.43 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.615 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 11' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' E' ' 6' ' ' LYS . 81.8 tttt -59.68 132.91 55.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.599 0.238 . . . . 10.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.03 127.61 49.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.505 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tp -121.98 143.54 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.294 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -98.74 135.47 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' E' ' 29' ' ' LYS . 77.2 mt -136.28 130.07 32.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.637 0.256 . . . . 10.0 111.535 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -90.37 103.71 16.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.725 HG11 HG22 ' E' ' 26' ' ' VAL . 2.6 t -132.38 142.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.343 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.6 146.49 50.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.99 -20.46 67.58 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.894 2.396 . . . . 10.0 113.465 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -10.18 59.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.94 155.25 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.894 0.378 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.55 165.26 13.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.059 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' E' ' 59' ' ' TYR . 44.0 mm -58.99 -39.43 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.544 0.212 . . . . 10.0 111.386 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.97 -36.4 77.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 10.0 110.679 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.89 -38.22 88.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.255 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.725 HG22 HG11 ' E' ' 17' ' ' VAL . 21.5 t -67.99 -35.84 73.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.38 -36.22 83.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.29 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.06 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.574 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.586 ' HD2' HG22 ' E' ' 17' ' ' VAL . 40.9 mttm -67.4 -36.79 81.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.693 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.66 -33.23 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.476 0.655 . . . . 10.0 109.321 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.44 -16.22 62.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.809 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -90.36 -49.67 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.901 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.1 -47.62 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 10.0 111.5 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.2 7.82 34.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.695 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.38 122.67 75.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 110.351 -0.24 . . . . 10.0 110.351 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.7 Cg_exo -60.87 145.15 99.45 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.797 2.331 . . . . 10.0 111.517 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 53.2 Cg_exo -54.78 -30.56 68.03 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.086 2.524 . . . . 10.0 112.724 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.45 -24.43 63.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.023 0.44 . . . . 10.0 110.932 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -95.66 -6.14 40.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.371 0.605 . . . . 10.0 109.554 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -93.27 122.68 35.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.784 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 31.0 ttm180 -130.67 104.17 7.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.74 136.63 37.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.128 0.489 . . . . 10.0 111.753 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -126.27 120.42 56.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.677 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -111.3 108.56 18.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.551 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.28 37.43 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.858 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.59 2.18 87.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.842 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -107.65 115.88 30.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.754 0.311 . . . . 10.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -68.8 123.29 20.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.733 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.47 138.67 43.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.756 0.312 . . . . 10.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -88.47 171.47 10.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.637 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -87.48 -49.65 7.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.818 0.342 . . . . 10.0 111.725 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.68 51.17 4.53 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.22 -0.514 . . . . 10.0 113.57 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -145.07 166.37 25.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.0 p -107.39 178.72 4.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.697 0.284 . . . . 10.0 110.916 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.22 -29.85 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 10.0 110.675 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -69.57 -19.51 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.169 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.0 OUTLIER -61.54 -29.43 70.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.658 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HE2' HD11 ' E' ' 23' ' ' ILE . 1.4 m-85 -116.59 20.25 14.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.552 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 p30 46.09 45.16 12.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.202 -0.908 . . . . 10.0 113.413 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -69.94 113.7 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.978 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -97.43 -160.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.821 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -81.52 147.44 29.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.527 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' E' ' 4' ' ' PHE . 3.4 mp0 65.14 29.49 11.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.856 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -82.09 142.9 31.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 66' ' ' THR . . . . . 0.657 HG23 ' HD2' ' E' ' 6' ' ' LYS . 23.7 m -103.53 113.44 26.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.66 127.43 48.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.937 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -89.54 130.15 35.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.681 0.277 . . . . 10.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -116.41 120.92 40.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.688 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.26 -175.32 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -91.17 132.14 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 10.0 111.339 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 50.6 ttt180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.91 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.771 0.319 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.59 104.54 15.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.464 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.411 HD12 HD13 ' B' ' 67' ' ' LEU . 37.2 pt -87.28 163.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -110.47 144.56 39.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.869 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.3 t -127.72 121.86 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 9.1 ttmm -112.92 136.59 52.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.909 0.385 . . . . 10.0 111.431 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -86.36 -165.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.091 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.66 -37.27 56.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 10.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.54 32.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.088 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.74 -20.11 0.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.43 -0.89 . . . . 10.0 112.673 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -48.96 122.54 5.9 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.822 0.449 . . . . 10.0 111.662 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.9 m -119.56 113.18 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.534 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -101.92 158.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.926 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.49 141.91 41.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.532 HD11 HG12 ' B' ' 30' ' ' ILE . 32.7 mt -137.09 121.04 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -82.35 103.45 11.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -133.16 167.52 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.124 0.487 . . . . 10.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 81.4 mm-40 -107.68 158.79 32.48 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.35 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.03 -28.51 86.23 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.191 1.927 . . . . 10.0 111.492 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -3.74 48.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.815 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 124.8 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 10.0 110.386 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -76.31 148.15 37.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.945 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.4 mm -53.15 -45.72 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.607 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.771 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 6.3 pt-20 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -75.24 -39.18 60.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 41.3 t -64.95 -35.01 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.2 mttt -59.35 -42.67 92.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.812 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.77 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.329 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -66.61 -40.84 89.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.451 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.532 HG12 HD11 ' B' ' 15' ' ' LEU . 68.9 mt -67.8 -36.3 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.633 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -63.16 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.56 -37.18 71.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -97.37 -40.78 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -91.19 -22.93 20.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.04 83.99 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.82 -0.705 . . . . 10.0 113.411 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -92.97 119.77 67.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.4 Cg_endo -60.61 140.24 90.07 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.983 2.456 . . . . 10.0 112.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.35 -27.83 86.0 Favored 'Trans proline' 0 N--CA 1.477 0.531 0 C-N-CA 123.538 2.825 . . . . 10.0 113.724 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.468 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 4.5 p-10 -69.41 -17.17 63.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.704 0.288 . . . . 10.0 111.662 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -112.35 13.41 20.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.056 0.455 . . . . 10.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -103.14 121.53 42.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 36.2 ttm180 -120.91 112.07 18.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 mt -99.93 116.09 31.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.768 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.74 112.66 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.357 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' D' ' 46' ' ' ALA . 62.2 t80 -110.84 120.06 41.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.778 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.41 16.8 7.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.387 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.78 10.96 48.41 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 48' ' ' ARG . 55.5 mtt180 -119.7 134.14 55.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.641 0.258 . . . . 10.0 110.757 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -80.78 119.37 23.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -75.43 125.84 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.226 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -79.63 143.1 34.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.269 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.771 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 5.5 m-20 -55.07 -39.71 69.55 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.41 15.9 32.53 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.802 -0.713 . . . . 10.0 114.444 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.2 mmt180 -111.8 158.42 19.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.303 0.552 . . . . 10.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 173.97 6.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.07 -40.84 78.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 10.0 110.71 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -17.56 63.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.316 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.1 -36.25 69.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.248 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -94.89 5.43 51.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.5 45.56 6.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.501 0.667 . . . . 10.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.81 103.4 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.426 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -92.09 178.81 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.377 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -64.94 161.62 18.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.025 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.3 31.18 13.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.421 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -116.09 141.45 48.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.824 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.7 m -111.69 140.45 46.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.199 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.411 HD13 HD12 ' B' ' 3' ' ' ILE . 8.1 mp -105.65 146.85 29.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' D' ' 46' ' ' ALA . 30.0 m170 -108.37 127.95 54.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.939 0.4 . . . . 10.0 111.545 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -107.11 125.09 50.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.761 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' B' ' 42' ' ' ARG . 19.8 m -125.85 166.5 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.063 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mp -72.42 115.53 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.446 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.89 0.376 . . . . 10.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.495 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 80.7 mt-30 -103.63 140.88 36.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.293 -0.262 . . . . 10.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.59 164.17 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -122.31 123.88 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.396 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.38 133.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.756 0.312 . . . . 10.0 110.98 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -103.92 103.61 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.105 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.3 p -75.52 172.55 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.472 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.16 -25.97 66.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.939 0.4 . . . . 10.0 110.934 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -13.06 60.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.495 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.17 8.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.59 -0.814 . . . . 10.0 111.636 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -113.2 113.65 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -85.04 103.9 14.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.807 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 pt -104.48 150.46 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.76 129.69 55.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 30' ' ' ILE . 70.6 mt -118.36 152.24 36.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.9 110.36 22.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.101 -1.074 . . . . 10.0 108.101 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.03 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.412 0.625 . . . . 10.0 111.734 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 0.7 OUTLIER -143.32 159.82 53.92 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.201 -0.909 . . . . 10.0 108.676 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.31 -24.0 77.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.122 1.881 . . . . 10.0 111.434 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -1.83 56.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.3 OUTLIER -72.77 144.7 47.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.94 153.19 17.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.406 HD12 HD13 ' D' ' 50' ' ' LEU . 49.2 mm -55.32 -43.07 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 10.0 111.032 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.79 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.496 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -75.89 -39.28 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.087 0.47 . . . . 10.0 110.232 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' VAL . . . . . 0.551 HG21 HD21 ' D' ' 56' ' ' LEU . 99.5 t -61.95 -41.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.857 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.76 -34.92 75.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.484 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.75 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.872 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.68 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.381 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ILE . . . . . 0.564 HG12 HD11 ' D' ' 15' ' ' LEU . 78.6 mt -68.22 -40.05 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.06 -26.97 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.264 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -74.15 -19.63 60.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -104.47 -57.35 2.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -84.32 -54.09 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 10.0 110.907 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.75 3.18 12.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 10.0 112.995 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -74.67 120.3 80.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.724 0.262 . . . . 10.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 46.7 Cg_exo -58.32 133.75 57.02 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.757 2.304 . . . . 10.0 111.941 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 48.7 Cg_exo -57.2 -26.69 71.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.259 2.639 . . . . 10.0 112.696 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.49 -28.59 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.557 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -101.2 9.77 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -98.72 136.76 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.868 0.366 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -133.21 91.14 2.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' D' ' 50' ' ' LEU . 24.8 mt -75.76 126.44 31.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.408 -0.815 . . . . 10.0 113.035 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 44' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' D' ' 49' ' ' GLN . 39.8 mm -119.06 127.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.786 ' HB3' HD21 ' D' ' 50' ' ' LEU . 83.7 t80 -130.34 126.71 37.83 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 46' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' B' ' 45' ' ' PHE . . . 71.43 -37.5 0.39 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.924 0.765 . . . . 10.0 112.841 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.61 -32.23 0.23 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.162 -0.542 . . . . 10.0 112.188 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' D' ' 48' ' ' ARG . 50.4 mtt180 -95.99 171.27 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 10.0 111.278 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 49' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' D' ' 44' ' ' ILE . 7.2 tt0 -85.37 149.08 25.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.435 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' D' ' 45' ' ' PHE . 78.2 mt -94.2 126.83 39.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.583 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.6 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.38 -31.56 61.9 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.735 0.643 . . . . 10.0 112.735 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.84 32.09 4.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 10.0 114.248 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -133.04 158.45 42.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.481 0.64 . . . . 10.0 111.56 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.01 162.35 14.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.007 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.551 HD21 HG21 ' D' ' 26' ' ' VAL . 39.4 mt -65.42 -39.62 92.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.825 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -62.32 -27.07 68.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 10.0 111.559 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.95 -29.2 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.203 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -99.2 8.11 45.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.747 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 57.3 t30 66.05 29.22 10.14 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.244 0.545 . . . . 10.0 111.129 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.37 123.38 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -118.44 -158.49 0.72 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.294 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 44.3 tttt -79.51 135.54 36.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 72.55 18.57 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -74.41 139.02 43.73 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -95.36 126.67 40.83 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 67' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' D' ' 43' ' ' LEU . 94.6 mt -109.11 130.04 55.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.566 -0.901 . . . . 10.0 108.566 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -99.96 136.72 39.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.812 0.339 . . . . 10.0 111.481 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 69' ' ' LEU . 14.3 mt -108.24 118.95 38.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.0 173.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.964 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.569 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.146 0.498 . . . . 10.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -84.98 127.45 34.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.786 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.48 167.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.199 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.78 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 10.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.23 120.94 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.702 ' HG2' HG23 ' E' ' 12' ' ' THR . 64.3 mttt -112.79 147.14 37.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.207 0.527 . . . . 10.0 111.583 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -116.13 163.42 15.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.525 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -71.2 -15.37 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 10.0 111.507 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -17.69 38.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.977 0.417 . . . . 10.0 111.157 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.0 22.18 9.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.132 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 112.13 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 12' ' ' THR . . . . . 0.702 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.8 m -103.33 130.9 50.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -126.61 136.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 10.0 110.903 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -101.75 133.04 47.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.448 . . . . 10.0 109.978 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -138.6 143.37 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.808 0.337 . . . . 10.0 110.699 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -102.78 111.28 23.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.551 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.706 HG11 HG22 ' E' ' 26' ' ' VAL . 0.3 OUTLIER -126.78 179.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 18' ' ' GLU . . . . . 0.502 ' H ' HG12 ' E' ' 17' ' ' VAL . 80.5 mm-40 -110.4 147.95 37.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 32.7 Cg_exo -60.49 -29.81 89.43 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.483 2.122 . . . . 10.0 111.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 11.03 15.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.918 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.4 OUTLIER -88.32 132.13 34.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 10.0 111.544 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.446 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.2 OUTLIER -74.02 149.96 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.637 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 29.2 mm -52.19 -44.38 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.759 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 24' ' ' GLU . . . . . 0.896 ' HG3' ' HB3' ' E' ' 52' ' ' ASP . 24.2 mt-10 -60.74 -31.25 70.57 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -78.76 -36.24 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 10.0 109.917 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.706 HG22 HG11 ' E' ' 17' ' ' VAL . 60.2 t -65.66 -41.41 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 27' ' ' LYS . . . . . 0.546 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 87.8 mttt -60.11 -37.22 79.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.73 96.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.994 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -63.97 -39.14 93.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.771 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.91 -41.87 94.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.941 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.0 -39.38 83.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.792 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.45 -42.28 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.75 -49.74 56.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.75 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.25 -103.0 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.281 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.0 28.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.813 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -108.84 117.18 54.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.8 Cg_exo -60.07 144.02 99.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.873 2.382 . . . . 10.0 112.1 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.546 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 76.1 Cg_exo -53.25 -27.67 39.15 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.398 2.732 . . . . 10.0 112.321 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.77 -27.0 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -102.05 0.5 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.281 0.563 . . . . 10.0 110.286 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -96.27 121.92 38.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.459 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 21.2 ttm180 -119.06 101.8 8.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.14 124.05 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.023 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.09 129.56 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 10.0 109.732 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' E' ' 50' ' ' LEU . 69.9 t80 -129.69 128.44 42.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 22.57 11.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.584 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.44 -6.52 82.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.936 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -107.23 144.86 33.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.651 -0.323 . . . . 10.0 110.992 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.96 138.09 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 10.0 111.102 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.7 mt -93.06 119.85 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.558 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -67.39 129.91 41.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.955 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 52' ' ' ASP . . . . . 0.896 ' HB3' ' HG3' ' E' ' 24' ' ' GLU . 1.2 m-20 -54.64 -32.55 59.19 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.013 0.745 . . . . 10.0 113.013 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 6.09 70.2 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 114.646 0.618 . . . . 10.0 114.646 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 54' ' ' ARG . . . . . 0.445 ' O ' HG12 ' E' ' 23' ' ' ILE . 67.8 mtp180 -112.44 164.71 12.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.692 0.746 . . . . 10.0 110.654 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 68.1 p -101.86 178.39 4.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.557 0.218 . . . . 10.0 111.175 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.01 -36.1 81.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.12 0.486 . . . . 10.0 111.021 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -69.07 -19.03 64.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.48 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' E' ' 55' ' ' THR . 3.0 m-20 -66.53 -24.67 66.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 10.0 110.596 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 32.4 m-85 -118.3 20.64 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.001 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p30 48.04 38.19 9.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.944 -1.025 . . . . 10.0 113.745 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.25 115.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.494 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -98.83 -164.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.745 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 38.6 ttpt -71.74 148.52 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.517 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 47.1 mt-10 65.84 24.11 11.35 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 52.1 m -79.23 141.9 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.644 0.259 . . . . 10.0 110.601 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -100.37 107.7 19.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.905 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.39 143.16 29.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -103.0 123.9 47.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 10.0 110.932 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -108.42 120.91 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.601 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.459 HG12 HD22 ' E' ' 8' ' ' LEU . 27.2 m -121.63 176.56 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.832 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.54 141.44 44.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 58.0 ttt180 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.24 111.29 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.718 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 pt -107.38 151.6 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.743 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -115.37 135.49 54.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.25 126.75 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 2.2 tttm -108.05 122.73 47.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.571 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 175.03 8.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.638 0.256 . . . . 10.0 111.522 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.43 ' H ' HD23 ' B' ' 8' ' ' LEU . 1.7 pt? -58.25 -20.55 42.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -38.43 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 10.0 110.66 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.03 -9.63 5.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.347 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.1 ttm180 -62.0 130.64 46.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.63 0.252 . . . . 10.0 110.544 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.21 125.01 51.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 pt -118.91 155.96 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.813 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.76 143.21 39.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.192 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -138.76 157.72 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.912 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.88 113.53 26.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 168.48 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 10.0 111.085 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.62 152.91 44.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.4 -29.8 85.66 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.496 2.131 . . . . 10.0 111.202 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 p -79.09 -0.36 31.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.114 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.88 138.71 36.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 10.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.73 157.37 21.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.53 -36.12 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.62 -25.5 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.238 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -76.35 -39.29 54.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.43 -39.79 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.743 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -57.33 -43.46 83.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.979 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.47 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.288 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.18 -41.79 94.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.465 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -68.67 -34.49 65.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.33 0.586 . . . . 10.0 109.586 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.521 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.0 tt0 -68.22 -32.32 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.248 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.8 -39.66 23.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.024 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -78.09 -63.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.15 -40.3 19.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.049 0.388 . . . . 10.0 112.049 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.57 40.23 3.46 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.181 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 65.3 mt -106.2 126.17 31.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 8.0 Cg_endo -50.81 124.72 14.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.484 2.79 . . . . 10.0 112.312 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.25 -29.96 87.34 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.986 2.457 . . . . 10.0 112.395 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -75.86 -8.04 55.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.628 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -118.73 7.34 11.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.497 . . . . 10.0 110.466 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.8 mt-30 -87.6 106.87 18.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.457 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.422 ' HB3' HG23 ' B' ' 70' ' ' VAL . 5.2 ttt180 -101.48 89.75 3.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.68 116.38 22.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.548 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -111.68 129.41 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.893 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.71 ' HB3' HD21 ' B' ' 50' ' ' LEU . 46.3 t80 -126.29 134.76 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.529 ' HA ' ' NE2' ' D' ' 68' ' ' HIS . . . 70.22 -66.14 0.29 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.855 0.722 . . . . 10.0 110.934 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.73 10.13 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.557 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -139.25 163.84 31.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.313 -0.255 . . . . 10.0 110.313 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.33 155.1 22.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 10.0 110.251 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.9 mt -99.21 142.0 31.26 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -80.0 145.14 32.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.01 -45.12 91.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.43 48.04 3.96 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.015 -0.612 . . . . 10.0 113.567 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -139.72 155.71 47.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.7 176.42 5.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.79 0.328 . . . . 10.0 110.595 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 66.0 mt -71.72 -37.71 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.058 0.456 . . . . 10.0 110.304 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -25.92 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.187 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -66.86 -21.25 66.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.711 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -115.05 13.19 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.751 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.23 29.07 11.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.34 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 78.0 mt -75.19 130.57 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.12 -164.84 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 10.0 111.749 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -74.13 139.26 44.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.977 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 66.14 14.98 9.91 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -77.86 121.2 23.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -86.94 126.62 34.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.43 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.25 156.84 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.442 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 79.8 m-70 -112.73 135.9 52.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.148 0.499 . . . . 10.0 111.907 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -114.47 104.0 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.246 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' B' ' 42' ' ' ARG . 17.4 m -102.39 173.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.39 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.17 146.43 24.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.841 0.353 . . . . 10.0 111.235 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.601 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.949 0.404 . . . . 10.0 110.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.422 ' HB3' HG22 ' D' ' 14' ' ' THR . 39.8 mt-30 -95.61 114.61 26.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.726 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -98.53 152.59 4.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.589 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' D' ' 66' ' ' THR . 98.3 m-85 -112.82 126.07 55.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.37 . . . . 10.0 110.876 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' D' ' 13' ' ' ILE . 46.7 t -118.52 131.62 70.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.341 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -95.59 112.34 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -71.14 178.83 3.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.989 0.423 . . . . 10.0 111.528 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.86 -21.93 63.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 10.0 110.155 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -8.13 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.7 11.25 66.13 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.903 -0.665 . . . . 10.0 111.847 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -82.81 143.48 30.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 10.0 110.275 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -100.87 110.56 22.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.465 ' CG1' ' HB ' ' D' ' 5' ' ' VAL . 47.6 pt -102.05 142.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.724 0.297 . . . . 10.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' THR . . . . . 0.422 HG22 ' HB3' ' D' ' 2' ' ' GLN . 2.3 m -109.38 127.22 54.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.136 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' D' ' 29' ' ' LYS . 69.6 mt -128.65 132.81 48.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.673 0.273 . . . . 10.0 111.691 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.6 112.48 24.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -134.65 169.87 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 10.0 111.867 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -105.03 152.63 39.69 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.01 -21.52 73.23 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.295 1.997 . . . . 10.0 111.687 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -90.59 6.2 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.703 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.74 137.12 37.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 10.0 110.868 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' THR . . . . . 0.476 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -86.46 165.33 16.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.817 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.581 HG23 ' HE3' ' D' ' 27' ' ' LYS . 0.4 OUTLIER -58.69 -33.1 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.857 0.36 . . . . 10.0 111.336 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLU . . . . . 0.476 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 7.6 pt-20 -62.5 -35.47 79.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.126 0.488 . . . . 10.0 110.517 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -67.92 -37.13 81.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.43 -39.29 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' D' ' 23' ' ' ILE . 98.7 mttt -56.89 -45.44 82.59 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.381 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.74 84.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD22 ' D' ' 15' ' ' LEU . 13.6 mmtt -65.6 -41.7 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.364 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.15 -35.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.213 0.53 . . . . 10.0 110.556 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 59.6 tt0 -73.34 -30.82 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.93 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.45 -24.51 59.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 10.0 112.259 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -104.76 -59.61 1.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' GLU . . . . . 0.401 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.4 tp10 -84.59 -23.08 29.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 10.0 111.726 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 80.33 25.24 57.55 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.562 -0.827 . . . . 10.0 113.129 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' D' ' 34' ' ' GLU . 73.8 mt -85.22 121.36 73.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.6 Cg_exo -56.11 126.13 21.37 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.859 2.372 . . . . 10.0 111.844 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.475 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 50.0 Cg_exo -55.85 -25.47 52.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.184 2.59 . . . . 10.0 112.647 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.62 -37.17 82.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -97.5 5.46 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.052 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' GLN . . . . . 0.526 ' OE1' ' HA ' ' D' ' 27' ' ' LYS . 55.5 mt-30 -84.3 112.96 20.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.5 ttp85 -128.72 108.55 10.56 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 67' ' ' LEU . 82.3 mt -97.36 126.94 42.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mm -111.47 128.04 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 10.0 108.801 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.624 ' HB2' HD21 ' D' ' 50' ' ' LEU . 22.2 t80 -106.76 88.57 2.78 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.47 49.5 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.599 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.1 -34.16 5.27 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.828 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.442 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.197 0.498 . . . . 10.0 110.475 -179.52 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 49' ' ' GLN . . . . . 0.407 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 23.9 tt0 -80.49 141.83 34.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' D' ' 45' ' ' PHE . 44.8 mt -87.4 130.54 34.62 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.334 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 77.4 mt-10 -77.32 164.54 25.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.056 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 52' ' ' ASP . . . . . 0.451 ' HA ' ' CG2' ' D' ' 23' ' ' ILE . 9.1 t70 -76.43 -44.3 36.46 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.54 47.59 1.91 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.666 -0.778 . . . . 10.0 114.25 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.5 mmt180 -129.8 163.14 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -113.66 163.28 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.619 0.247 . . . . 10.0 111.276 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.588 ' HG ' HD12 ' D' ' 61' ' ' ILE . 6.1 mp -57.22 -34.43 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -64.5 -26.71 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.76 -42.98 69.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 10.0 111.05 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 59' ' ' TYR . . . . . 0.453 ' HA ' ' HE3' ' B' ' 6' ' ' LYS . 89.5 m-85 -88.73 7.52 33.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.685 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 t30 59.04 47.53 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 10.0 112.332 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 61' ' ' ILE . . . . . 0.588 HD12 ' HG ' ' D' ' 56' ' ' LEU . 62.2 mt -89.27 122.3 40.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.628 -0.879 . . . . 10.0 108.628 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -126.13 -123.2 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.136 0.493 . . . . 10.0 111.998 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -95.1 134.71 37.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.142 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' D' ' 4' ' ' PHE . 39.2 mt-10 65.46 19.71 11.61 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -67.45 131.78 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.1 m -101.53 125.9 48.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.101 0.477 . . . . 10.0 111.758 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 67' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 43' ' ' LEU . 11.5 mt -108.19 134.5 50.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.15 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 68' ' ' HIS . . . . . 0.529 ' NE2' ' HA ' ' B' ' 46' ' ' ALA . 74.3 m-70 -98.81 112.16 24.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.507 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.1 114.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.81 158.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.469 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.015 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 1' ' ' MET . . . . . 0.551 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 34.5 ttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.901 0.381 . . . . 10.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 2' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 35.7 tt0 -85.91 108.32 18.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 pt -100.0 164.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.164 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' E' ' 66' ' ' THR . 85.5 m-85 -113.62 122.18 46.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.962 0.41 . . . . 10.0 111.542 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.436 HG21 HD12 ' E' ' 15' ' ' LEU . 55.3 t -106.68 122.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.755 -0.832 . . . . 10.0 108.755 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' E' ' 11' ' ' LYS . 97.0 mttt -118.64 148.98 42.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.276 0.56 . . . . 10.0 111.998 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 7' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 18.9 p -112.17 177.9 4.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.652 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.576 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.315 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.5 t -75.98 -13.67 60.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.915 0.388 . . . . 10.0 111.169 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.3 49.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.556 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' E' ' 6' ' ' LYS . 2.1 tptt -64.51 126.27 27.33 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -118.5 119.14 33.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.16 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 tt -119.46 146.34 24.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -99.8 142.08 31.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' LEU . . . . . 0.648 HD11 HG12 ' E' ' 30' ' ' ILE . 14.5 mt -134.26 134.55 42.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.463 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -102.1 98.27 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.865 0.364 . . . . 10.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.547 HG12 ' HD2' ' E' ' 29' ' ' LYS . 16.5 m -129.78 175.35 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.479 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -111.26 154.04 43.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.73 -26.99 68.24 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.55 2.167 . . . . 10.0 111.639 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.45 2.12 30.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.797 -0.638 . . . . 10.0 112.033 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 152.04 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.328 . . . . 10.0 110.53 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.2 p -89.32 162.37 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 36.6 mm -62.63 -33.6 60.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.961 0.41 . . . . 10.0 109.927 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.88 -36.41 81.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.224 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -40.06 70.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.553 HG21 HD11 ' E' ' 56' ' ' LEU . 57.4 t -62.94 -41.67 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 27' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 77.7 mttt -58.46 -37.94 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.776 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.44 95.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.363 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.547 ' HD2' HG12 ' E' ' 17' ' ' VAL . 24.5 mttm -67.82 -32.98 73.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.866 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ILE . . . . . 0.648 HG12 HD11 ' E' ' 15' ' ' LEU . 60.6 mt -65.46 -36.86 78.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -73.5 -32.33 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.844 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.22 -33.55 69.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.577 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -88.09 -45.79 9.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -97.29 -65.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 10.0 111.678 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.92 -13.08 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.062 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 11.7 mt -61.2 124.89 82.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.423 0.289 . . . . 10.0 110.776 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 44.1 Cg_exo -59.01 134.44 59.94 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.691 2.26 . . . . 10.0 111.591 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 38' ' ' PRO . . . . . 0.654 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 57.7 Cg_exo -53.88 -36.51 83.44 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.592 2.861 . . . . 10.0 113.942 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 39' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' E' ' 72' ' ' ARG . 14.0 t70 -74.05 -11.17 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 10.0 111.585 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.5 3.53 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.788 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.3 mt-30 -99.14 135.67 40.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.918 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -127.52 98.71 5.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 74.9 mt -88.02 117.82 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.453 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mt -109.37 126.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.125 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.755 ' HB3' HD21 ' E' ' 50' ' ' LEU . 82.9 t80 -127.13 123.51 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 18.55 10.65 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.838 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -5.64 43.1 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.409 -0.9 . . . . 10.0 113.696 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -124.93 138.96 54.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.09 0.445 . . . . 10.0 111.949 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.32 132.57 45.88 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' E' ' 45' ' ' PHE . 24.0 mt -77.06 127.78 33.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.93 0.395 . . . . 10.0 110.968 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.53 134.11 45.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.816 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 52' ' ' ASP . . . . . 0.428 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 0.8 OUTLIER -54.12 -46.09 72.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.37 45.62 3.27 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.101 -0.571 . . . . 10.0 113.924 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -146.09 166.17 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 39.3 p -105.44 178.05 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.693 0.282 . . . . 10.0 111.123 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' E' ' 26' ' ' VAL . 8.8 mp -72.47 -39.18 67.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 10.0 110.699 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 6.7 m -65.58 -20.96 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' E' ' 55' ' ' THR . 2.6 m-20 -60.91 -36.27 78.85 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.99 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -104.63 21.57 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.589 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p30 46.69 44.5 13.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.339 -0.846 . . . . 10.0 113.215 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -70.92 116.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.331 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -90.79 179.52 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.092 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.551 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 19.1 ttpp -67.39 139.14 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.406 ' OE2' ' HG2' ' E' ' 63' ' ' LYS . 8.7 mp0 69.41 34.19 2.94 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 59.5 m -84.62 157.15 21.26 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.745 0.307 . . . . 10.0 111.064 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 66' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 14.0 m -109.36 129.44 55.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 10.0 111.911 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 67' ' ' LEU . . . . . 0.425 HD21 HD11 ' E' ' 50' ' ' LEU . 10.6 mt -111.76 131.72 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.923 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.42 112.65 24.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.31 122.92 43.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.115 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.74 170.56 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.64 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.15 122.57 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.527 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 72' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' E' ' 39' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.372 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.417 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.53 121.17 27.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.5 pt -114.3 151.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.049 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HB2' HG23 ' B' ' 66' ' ' THR . 64.8 m-85 -107.79 130.93 54.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.7 114.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.966 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.703 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 0.4 OUTLIER -101.38 129.0 47.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.181 -179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.23 -171.93 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.526 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.97 -14.95 63.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.855 0.36 . . . . 10.0 111.491 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.518 ' HB ' ' H ' ' B' ' 10' ' ' GLY . 0.3 OUTLIER -100.48 -132.82 0.27 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.345 179.594 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.703 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . -110.84 -12.86 15.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.681 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.96 132.87 54.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.509 . . . . 10.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -135.03 116.62 14.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -100.15 169.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.949 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -128.26 136.29 50.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 33' ' ' LYS . 80.9 mt -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.706 0.288 . . . . 10.0 111.011 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.89 122.54 33.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.202 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 m -134.92 175.96 9.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 10.0 111.007 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 38.4 mm-40 -114.06 150.38 43.48 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.4 -34.52 94.63 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.422 2.081 . . . . 10.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -96.54 22.75 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -77.16 136.81 38.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.63 144.49 33.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.382 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.1 mm -56.66 -39.5 63.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 10.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.787 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 3.9 pt-20 -61.81 -34.8 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.85 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -73.1 -39.34 65.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.2 t -62.61 -41.23 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.435 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.4 mttt -58.86 -39.9 82.71 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.103 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.07 89.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.17 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.32 -42.35 95.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.208 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 41.5 mt -70.76 -37.2 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.212 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -64.02 -43.84 94.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.525 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.75 -32.97 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.451 . . . . 10.0 110.936 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' B' ' 15' ' ' LEU . 60.4 tttp -76.25 -53.57 8.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.821 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.6 -72.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.84 -1.27 1.08 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.544 -0.836 . . . . 10.0 113.142 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -83.02 123.58 77.48 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 20.9 Cg_endo -59.91 145.85 97.27 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.882 2.388 . . . . 10.0 112.489 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.9 Cg_exo -59.1 -27.18 84.29 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.389 2.726 . . . . 10.0 113.271 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -18.05 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 10.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -105.56 3.39 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.39 . . . . 10.0 110.727 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.88 109.69 21.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.669 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 35.0 ttm180 -97.95 92.49 5.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.517 ' HB3' HD12 ' B' ' 50' ' ' LEU . 43.2 mt -82.16 112.69 19.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.011 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.413 HD11 ' HD3' ' B' ' 42' ' ' ARG . 69.1 mt -118.24 123.61 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.533 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -126.66 111.69 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.732 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.34 23.31 10.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.668 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.46 -5.51 77.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.538 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 54.3 mtt-85 -105.85 135.91 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.08 137.04 38.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.416 . . . . 10.0 110.61 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' B' ' 43' ' ' LEU . 49.3 mt -88.73 105.09 17.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.828 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.02 140.87 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.908 0.385 . . . . 10.0 111.283 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 6.8 m-20 -55.78 -37.41 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 10.0 112.46 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.01 11.39 11.57 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 114.513 0.565 . . . . 10.0 114.513 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -120.81 159.06 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.196 0.498 . . . . 10.0 110.45 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 p -103.46 169.62 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.346 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.9 mt -60.65 -28.74 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.009 0.433 . . . . 10.0 111.836 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -19.74 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.62 -28.06 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 10.0 111.545 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.0 17.1 19.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.897 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 56.62 48.64 16.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.683 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.92 126.89 43.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.31 -162.45 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.904 0.383 . . . . 10.0 110.606 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 63' ' ' ARG . 22.7 ttp180 -74.61 152.87 39.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.07 0.26 3.34 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.506 0.504 . . . . 10.0 112.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -77.11 132.48 38.88 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.213 0.53 . . . . 10.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.443 HG23 ' HB2' ' B' ' 4' ' ' PHE . 4.2 m -101.42 134.7 44.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.859 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.411 HD23 HD11 ' B' ' 50' ' ' LEU . 4.6 mp -117.9 150.82 38.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -106.05 131.48 53.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.148 0.499 . . . . 10.0 112.152 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 tp -106.74 97.58 7.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.217 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.74 163.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.871 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.18 139.03 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 5.1 ttt180 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.17 0.51 . . . . 10.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' D' ' 16' ' ' GLU . 98.3 mt-30 -81.53 138.21 35.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.324 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -122.82 164.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.134 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.77 131.6 56.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.383 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.83 127.82 75.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 10.0 110.561 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -94.58 124.83 38.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.084 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -77.02 179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -72.93 -18.83 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 10.0 110.022 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -30.06 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.659 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.45 -5.01 10.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 135.72 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 10.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -105.45 101.99 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.964 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -92.4 141.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.897 0.38 . . . . 10.0 111.204 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.56 135.28 46.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.111 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' D' ' 29' ' ' LYS . 3.4 mt -147.49 140.64 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.925 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' D' ' 2' ' ' GLN . 1.3 tp10 -93.73 128.82 40.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.76 -177.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.066 0.46 . . . . 10.0 110.936 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 2.3 tm-20 -130.94 142.88 47.19 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PRO . . . . . 0.641 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 85.4 Cg_exo -48.59 -32.12 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.603 2.202 . . . . 10.0 112.684 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.27 3.39 27.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -76.94 134.41 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 10.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.47 153.0 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.065 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' D' ' 23' ' ' ILE . 26.2 mm -54.9 -37.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 10.0 111.602 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.361 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -68.7 -38.18 80.09 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -42.56 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.631 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.1 -40.09 92.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.709 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.14 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.749 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' D' ' 15' ' ' LEU . 95.9 mttt -64.49 -37.23 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.439 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.42 -35.14 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.285 0.564 . . . . 10.0 109.748 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.464 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 31.3 tt0 -69.05 -21.75 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.415 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.98 -33.68 22.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.402 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -89.03 -50.76 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -96.18 -44.72 7.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 10.0 110.986 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 101.04 21.98 11.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.445 -0.883 . . . . 10.0 112.947 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -81.97 125.62 77.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 69.8 Cg_exo -54.03 124.44 15.94 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.885 2.39 . . . . 10.0 111.653 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 52.6 Cg_exo -56.31 -26.05 59.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.204 2.603 . . . . 10.0 112.335 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.02 -39.34 93.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.453 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.66 24.6 5.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.998 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -106.52 115.82 30.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.978 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' D' ' 70' ' ' VAL . 35.2 ttp85 -122.29 110.78 16.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.419 HD12 HG23 ' D' ' 23' ' ' ILE . 97.1 mt -91.73 123.25 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.01 120.13 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.803 ' HB3' HD21 ' D' ' 50' ' ' LEU . 79.3 t80 -115.09 113.17 23.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.746 0.308 . . . . 10.0 111.388 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.68 15.34 8.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.49 19.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.467 -0.873 . . . . 10.0 113.565 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 138.13 36.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 10.0 111.792 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' D' ' 45' ' ' PHE . 23.3 mt -95.68 133.16 40.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 39.4 mt-10 -78.07 141.67 38.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.04 -48.83 75.25 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.45 57.45 4.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.458 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.3 mmt180 -141.84 157.04 45.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -103.23 173.89 6.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 39.4 mt -71.47 -29.83 65.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.004 0.43 . . . . 10.0 110.825 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -24.26 65.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.075 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.71 -38.87 89.46 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.456 0.646 . . . . 10.0 110.052 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.52 8.91 37.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.114 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 56.1 44.1 25.82 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.484 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 61' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' D' ' 56' ' ' LEU . 69.3 mt -77.8 119.53 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.34 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -103.4 -168.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 86.4 tttt -74.35 145.0 44.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.063 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 7.6 mt-10 78.22 1.57 2.72 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.927 0.767 . . . . 10.0 113.058 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -59.35 123.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 10.0 110.482 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -93.91 109.33 21.05 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.607 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -97.71 147.88 23.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.9 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -108.97 122.67 47.74 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.051 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 112.29 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.5 m -104.69 -175.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.154 0.502 . . . . 10.0 111.569 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.625 -179.498 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 1' ' ' MET . . . . . 0.573 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 23.1 ttp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.064 0.459 . . . . 10.0 110.429 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 32.7 tt0 -76.52 114.5 15.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.828 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.524 HD11 HD21 ' E' ' 56' ' ' LEU . 1.0 OUTLIER -99.66 159.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.989 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -109.21 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.9 122.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 6' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' E' ' 12' ' ' THR . 91.4 mttt -122.15 145.86 47.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 10.0 111.788 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -106.71 176.5 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.673 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.618 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.4 OUTLIER -69.72 -20.48 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.163 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -84.62 -8.59 58.83 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.952 0.406 . . . . 10.0 111.474 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.68 56.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.089 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -67.57 123.66 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 11.2 m -117.1 129.65 56.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.866 0.365 . . . . 10.0 111.437 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -123.97 135.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -98.93 135.71 39.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.056 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' E' ' 2' ' ' GLN . 4.8 mp -137.33 131.89 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -89.13 96.73 10.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.765 HG13 ' HE3' ' E' ' 29' ' ' LYS . 21.9 t -111.27 149.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.887 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 55.2 mm-40 -85.32 145.81 43.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.87 -26.67 82.98 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.801 2.334 . . . . 10.0 112.279 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -87.21 -0.8 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.902 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 19.5 m-20 -77.49 144.19 37.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 10.0 110.827 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 15.3 p -89.64 170.03 10.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ILE . . . . . 0.837 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 28.8 mm -58.8 -36.59 61.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.845 0.355 . . . . 10.0 110.367 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 24' ' ' GLU . . . . . 0.48 ' H ' ' HG3' ' E' ' 24' ' ' GLU . 0.8 OUTLIER -59.34 -37.73 78.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.948 179.113 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 19.8 m-20 -69.52 -41.78 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.5 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.554 HG22 HG11 ' E' ' 17' ' ' VAL . 38.2 t -63.44 -47.15 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.87 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -60.2 -39.68 87.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.831 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.69 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.585 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.765 ' HE3' HG13 ' E' ' 17' ' ' VAL . 23.6 mttm -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.543 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.88 -33.7 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.185 0.517 . . . . 10.0 110.457 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 62.5 tt0 -71.49 -22.12 61.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.539 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -87.0 -47.06 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.094 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -73.84 -50.8 18.66 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.81 -40.93 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 109.05 -1.98 31.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.452 -0.88 . . . . 10.0 112.869 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.45 122.16 86.36 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.7 Cg_exo -61.21 144.28 98.81 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.679 2.253 . . . . 10.0 111.252 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.73 -33.54 96.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.028 2.485 . . . . 10.0 112.003 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.04 -17.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.765 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -103.82 4.24 34.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 10.0 110.055 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.4 mt-30 -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.869 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 42' ' ' ARG . . . . . 0.444 ' HB3' HG23 ' E' ' 70' ' ' VAL . 37.1 ttm180 -127.73 109.18 11.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.004 -1.11 . . . . 10.0 108.004 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' E' ' 50' ' ' LEU . 53.9 mt -91.01 123.54 34.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.085 0.469 . . . . 10.0 111.835 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.61 128.61 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.677 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.853 ' HB3' HD21 ' E' ' 50' ' ' LEU . 78.8 t80 -136.08 120.65 18.25 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.54 16.92 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.762 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.95 -5.21 68.7 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -104.54 147.23 27.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.671 0.272 . . . . 10.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.04 126.25 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' E' ' 45' ' ' PHE . 38.0 mt -81.03 110.71 16.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.812 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.99 135.65 52.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 52' ' ' ASP . . . . . 0.837 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 3.5 m-20 -56.21 -42.45 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.94 38.21 1.74 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.851 0.7 . . . . 10.0 114.851 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -141.09 157.8 44.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.317 0.559 . . . . 10.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 55' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 68.6 p -93.0 -178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 56' ' ' LEU . . . . . 0.524 HD21 HD11 ' E' ' 3' ' ' ILE . 7.2 mp -69.88 -41.94 74.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -66.22 -21.59 66.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.8 OUTLIER -60.68 -34.21 73.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.011 0.434 . . . . 10.0 110.763 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -109.99 18.94 19.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.041 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p30 47.59 38.62 8.38 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 53.4 mt -73.53 120.77 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.635 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -98.24 -177.59 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.763 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.573 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 17.0 ttpp -73.57 139.95 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 73.69 17.94 3.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.75 0.656 . . . . 10.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 26.9 m -81.81 160.9 23.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.355 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 32.6 m -103.78 126.78 51.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.161 0.505 . . . . 10.0 112.159 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 73.9 mt -109.51 123.11 48.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.39 114.79 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.831 0.348 . . . . 10.0 110.875 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 69' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' E' ' 41' ' ' GLN . 36.7 tp -108.23 122.42 46.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.79 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' E' ' 42' ' ' ARG . 16.7 m -120.61 175.84 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.33 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tt -83.36 124.9 31.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 10.0 111.032 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.196 179.681 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.685 0.278 . . . . 10.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -85.83 130.62 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -122.39 159.63 25.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.54 126.88 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.766 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -116.32 123.08 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' B' ' 12' ' ' THR . 34.8 mttm -104.2 141.84 35.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.831 0.348 . . . . 10.0 111.428 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -177.94 4.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.01 -12.61 52.3 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -92.53 -24.9 18.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.19 0.519 . . . . 10.0 110.463 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.33 -9.61 26.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.599 -0.81 . . . . 10.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 25.3 ttm180 -58.41 133.17 55.52 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HG3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -110.33 118.96 37.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.515 -178.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.01 143.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.961 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -95.39 142.66 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -141.22 148.97 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.179 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.13 114.93 29.36 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.21 169.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.878 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.7 mm-40 -110.33 154.41 42.94 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.399 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.57 -28.14 86.7 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.129 1.886 . . . . 10.0 111.255 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.94 5.67 43.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.567 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 4.6 m-20 -72.22 134.13 45.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 10.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 146.91 29.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.026 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -53.68 -41.09 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.55 -34.86 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 29.2 t-20 -73.11 -36.22 66.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.99 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.32 -41.43 96.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.12 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.65 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.673 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -62.54 -37.34 85.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.927 0.394 . . . . 10.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.49 HD13 HD22 ' B' ' 69' ' ' LEU . 69.7 mt -73.14 -34.72 45.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.322 0.582 . . . . 10.0 109.705 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.467 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 10.5 tt0 -68.46 -31.38 70.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.542 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -26.09 45.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.703 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -92.69 -61.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 10.0 111.727 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -86.02 -38.5 17.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.664 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 101.42 21.4 11.58 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.445 -0.884 . . . . 10.0 112.629 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -87.0 121.6 71.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 63.4 Cg_exo -55.08 133.88 60.6 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.031 2.488 . . . . 10.0 111.84 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.34 -31.53 91.28 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 10.0 113.01 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 15.7 p-10 -79.18 -14.79 58.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.4 0.96 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.483 0.659 . . . . 10.0 109.503 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -94.24 127.03 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.522 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.556 ' HD2' HG23 ' B' ' 70' ' ' VAL . 12.1 ttm180 -116.8 89.23 3.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.95 121.77 23.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.493 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.84 131.61 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.277 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' B' ' 50' ' ' LEU . 71.2 t80 -123.56 118.36 27.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.774 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.709 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 69.34 -40.6 0.46 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.76 -3.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 153.68 21.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -91.21 133.25 35.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 45' ' ' PHE . 25.9 mt -81.33 134.22 35.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.686 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -83.48 138.59 33.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.568 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.64 -46.53 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.672 -0.695 . . . . 10.0 112.737 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 30.75 3.17 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.985 -0.626 . . . . 10.0 114.12 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.3 mmt180 -124.81 163.79 21.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.418 -0.46 . . . . 10.0 110.644 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 p -107.68 169.78 8.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.709 0.29 . . . . 10.0 111.091 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.439 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 71.1 mt -65.42 -33.44 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 10.0 111.035 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -25.82 67.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.669 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.96 -35.71 81.57 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.267 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -101.72 6.13 41.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.993 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.75 42.53 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.37 -0.832 . . . . 10.0 111.989 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.1 mt -81.82 126.58 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.67 -0.863 . . . . 10.0 108.67 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -112.29 -168.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -68.93 140.3 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.098 -0.955 . . . . 10.0 112.015 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.58 15.21 8.7 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.26 116.53 17.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -81.15 122.12 26.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.028 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -114.56 160.83 18.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.634 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 18.1 m170 -114.4 126.35 54.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.49 HD22 HD13 ' B' ' 30' ' ' ILE . 54.1 tp -106.49 94.47 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.149 -0.932 . . . . 10.0 108.972 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' B' ' 42' ' ' ARG . 3.4 m -90.98 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.289 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 tp -77.53 120.19 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 67.2 ttt180 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.945 0.402 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.34 140.27 33.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.679 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -115.05 162.51 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.888 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.93 121.33 43.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 10.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.53 HG21 HD12 ' D' ' 15' ' ' LEU . 87.4 t -102.36 110.61 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.792 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -92.15 112.33 24.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 60.8 p -80.29 -179.1 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 10.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.97 -32.0 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.775 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -17.67 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.621 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -7.82 45.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.58 134.19 49.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 1.5 m -117.43 110.16 17.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.891 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.468 HG13 ' HB ' ' D' ' 5' ' ' VAL . 32.8 pt -103.81 155.13 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 135.94 44.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.505 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.53 HD12 HG21 ' D' ' 5' ' ' VAL . 32.1 mt -131.4 133.48 45.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -82.9 123.44 29.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -134.48 177.66 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.161 0.505 . . . . 10.0 111.747 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 19.5 mm-40 -127.59 158.2 70.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.147 -0.933 . . . . 10.0 108.934 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.46 -27.37 82.27 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.195 1.93 . . . . 10.0 111.02 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -4.11 59.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.788 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.7 OUTLIER -67.0 137.89 56.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.782 0.325 . . . . 10.0 110.73 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -95.31 158.25 15.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ILE . . . . . 0.444 HG23 HD12 ' D' ' 43' ' ' LEU . 28.9 mm -56.8 -38.71 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.79 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.0 -45.79 91.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' D' ' 29' ' ' LYS . 32.4 t30 -64.95 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.416 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.29 -46.2 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.37 -39.37 83.09 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.428 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.593 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' D' ' 25' ' ' ASN . 87.1 mttt -67.06 -36.32 81.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.142 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.99 -38.44 79.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.111 0.481 . . . . 10.0 109.837 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' GLN . . . . . 0.426 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 61.9 tt0 -69.29 -25.82 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.294 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.4 -23.14 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.408 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -105.44 -55.52 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' GLU . . . . . 0.453 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.1 tp10 -93.38 -12.28 30.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 71.43 28.65 69.3 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.596 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' D' ' 34' ' ' GLU . 61.0 mt -88.7 119.91 70.08 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 43.3 Cg_exo -58.52 127.04 23.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.862 2.374 . . . . 10.0 111.894 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 36.3 Cg_exo -59.29 -23.89 71.84 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.364 2.709 . . . . 10.0 112.08 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.19 -40.22 89.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.274 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -95.38 -0.59 52.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.422 . . . . 10.0 110.981 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.35 135.06 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.224 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' D' ' 42' ' ' ARG . 13.4 ttp85 -143.26 108.72 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.636 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' D' ' 50' ' ' LEU . 73.3 mt -85.29 128.71 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 10.0 112.319 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -120.0 131.91 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD21 ' D' ' 50' ' ' LEU . 7.9 t80 -134.87 117.6 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.433 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 46' ' ' ALA . . . . . 0.709 ' HA ' ' H ' ' B' ' 46' ' ' ALA . . . 60.08 25.52 14.8 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.703 0.627 . . . . 10.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.81 -29.13 11.02 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.745 -0.741 . . . . 10.0 113.44 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' ARG . . . . . 0.634 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -82.6 137.51 34.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.027 0.413 . . . . 10.0 110.564 -179.29 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -79.47 124.49 28.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.087 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' D' ' 45' ' ' PHE . 19.1 mt -77.8 127.01 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.433 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 51' ' ' GLU . . . . . 0.41 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 29.7 mt-10 -73.23 143.71 47.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.755 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.54 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.908 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 56.12 5.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' ARG . . . . . 0.41 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 30.6 mmt180 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.743 0.306 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -101.05 167.28 10.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.784 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.503 ' HG ' HD12 ' D' ' 61' ' ' ILE . 5.5 mp -64.69 -32.38 74.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 10.0 110.647 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -67.72 -24.67 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.427 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -67.08 -41.76 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 10.0 110.758 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.11 10.28 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.984 -0.553 . . . . 10.0 112.096 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 54.68 41.37 31.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.316 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 61' ' ' ILE . . . . . 0.503 HD12 ' HG ' ' D' ' 56' ' ' LEU . 54.0 mt -75.02 118.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 10.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -101.74 -175.69 2.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.726 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 63' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 71.8 tttt -71.69 141.28 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.407 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 74.6 mt-10 78.56 1.99 2.6 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.148 0.795 . . . . 10.0 113.148 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -68.18 139.53 56.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 10.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -104.2 124.44 49.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.258 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.9 134.64 46.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.577 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -96.8 128.44 43.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 10.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.3 114.57 28.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.69 168.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.201 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 39.7 tp . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.974 0.416 . . . . 10.0 111.517 -179.232 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.0 ttp . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.847 0.356 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -87.9 132.07 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.038 0.447 . . . . 10.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -118.8 163.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.989 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' E' ' 66' ' ' THR . 50.8 m-85 -120.09 112.85 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.752 0.31 . . . . 10.0 110.92 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.26 119.97 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.138 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -107.17 171.55 7.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 10.0 111.152 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -136.42 169.82 17.06 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 8' ' ' LEU . . . . . 0.416 HD23 HG12 ' E' ' 70' ' ' VAL . 2.5 pp -73.04 -4.64 33.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 10.0 111.45 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -97.69 -4.7 36.76 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.123 0.487 . . . . 10.0 110.259 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -22.21 41.16 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.275 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -56.81 131.82 50.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.158 0.504 . . . . 10.0 112.088 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -122.82 122.91 39.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.57 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -115.0 137.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.014 0.435 . . . . 10.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.29 137.89 32.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.012 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -143.46 149.5 37.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.593 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -106.92 110.7 22.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' VAL . . . . . 0.565 HG11 HG22 ' E' ' 26' ' ' VAL . 15.9 t -131.26 140.58 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.533 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.66 147.01 70.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.05 -27.88 86.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.605 2.203 . . . . 10.0 112.736 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.42 6.67 47.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.8 146.72 35.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.68 0.276 . . . . 10.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' THR . . . . . 0.48 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -86.49 152.42 22.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.144 -179.275 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 42.8 mm -55.34 -36.7 41.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.964 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' E' ' 52' ' ' ASP . 23.9 mt-10 -60.12 -38.08 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.233 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -77.57 -24.34 49.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.225 0.536 . . . . 10.0 110.137 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' VAL . . . . . 0.565 HG22 HG11 ' E' ' 17' ' ' VAL . 60.3 t -72.87 -40.89 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -61.02 -38.67 86.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.433 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.02 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.052 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' E' ' 17' ' ' VAL . 24.5 mtmm -72.34 -37.96 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.021 0.439 . . . . 10.0 110.56 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.21 -31.61 50.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.405 0.621 . . . . 10.0 109.94 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' GLN . . . . . 0.556 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 65.4 tt0 -74.6 -20.9 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.964 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.69 -47.58 11.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.506 . . . . 10.0 109.92 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.7 -78.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.82 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.98 -41.2 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.988 0.366 . . . . 10.0 111.988 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 105.76 9.89 31.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.537 -0.839 . . . . 10.0 112.385 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.04 119.42 77.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.1 140.22 82.82 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.809 2.34 . . . . 10.0 112.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.64 -25.2 66.51 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.191 2.594 . . . . 10.0 112.054 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.49 -27.41 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.088 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -108.48 8.92 27.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -93.77 126.24 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.987 0.365 . . . . 10.0 111.987 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -138.34 104.26 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.462 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 67' ' ' LEU . 15.5 mt -95.36 135.02 37.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 10.0 112.006 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.09 124.6 69.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.293 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -118.34 106.66 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.94 32.68 19.97 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -16.66 60.67 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.746 0.308 . . . . 10.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -69.88 138.84 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 50' ' ' LEU . . . . . 0.49 HD11 HD21 ' E' ' 67' ' ' LEU . 20.2 mt -86.89 124.27 32.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.984 0.421 . . . . 10.0 111.753 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.12 140.04 29.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.98 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 1.4 m-20 -58.6 -30.76 67.46 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.72 8.6 48.46 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.908 1.123 . . . . 10.0 115.908 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 54' ' ' ARG . . . . . 0.431 ' HE ' ' HB3' ' E' ' 58' ' ' ASP . 19.6 mtp180 -123.42 168.23 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.063 0.932 . . . . 10.0 112.099 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -107.46 173.12 6.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.682 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -35.52 74.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.002 0.43 . . . . 10.0 111.273 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -67.3 -24.24 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.368 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB3' ' HE ' ' E' ' 54' ' ' ARG . 52.4 m-20 -75.04 -4.18 36.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.416 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 59' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' E' ' 54' ' ' ARG . 58.8 m-85 -127.82 15.13 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 p30 47.75 36.58 5.89 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.72 1.007 . . . . 10.0 113.72 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 61' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' E' ' 65' ' ' SER . 19.5 mt -74.92 129.66 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.965 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -105.96 -169.22 1.55 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.95 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 63' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 24.1 ttpp -74.19 135.79 42.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 64' ' ' GLU . . . . . 0.489 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 22.9 mt-10 69.1 10.55 7.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 65' ' ' SER . . . . . 0.423 ' HB2' HG23 ' E' ' 61' ' ' ILE . 69.5 m -64.19 135.61 56.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.727 0.299 . . . . 10.0 110.311 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 6.8 m -87.93 130.38 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.514 . . . . 10.0 112.327 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 67' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 43' ' ' LEU . 2.1 mt -117.77 151.79 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.413 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -111.21 120.1 41.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.657 0.265 . . . . 10.0 110.56 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -104.14 113.06 26.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.077 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 70' ' ' VAL . . . . . 0.416 HG12 HD23 ' E' ' 8' ' ' LEU . 30.0 m -112.52 -177.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 tp -82.23 131.23 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 120.967 0.413 . . . . 10.0 111.237 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.729 ' HB2' ' HG3' ' B' ' 63' ' ' ARG . 20.4 ptt? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.863 0.363 . . . . 10.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -89.91 136.9 32.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.38 151.56 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.835 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -103.83 134.24 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.581 0.229 . . . . 10.0 110.483 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' HG13 ' B' ' 13' ' ' ILE . 36.1 t -118.06 112.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.63 140.03 30.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.873 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -87.67 -102.5 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -143.53 -47.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -69.2 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -21.96 0.2 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.4 -0.905 . . . . 10.0 112.711 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -56.74 121.48 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 10.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -120.51 122.02 39.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.874 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.538 HG13 ' HB ' ' B' ' 5' ' ' VAL . 29.3 pt -102.1 150.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.11 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -117.81 124.19 47.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 110.699 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -126.88 139.96 52.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -92.41 129.0 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.73 171.76 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 53.7 mm-40 -97.7 155.17 37.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.81 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.07 -35.53 98.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.498 2.132 . . . . 10.0 112.497 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 21.49 10.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.4 m-20 -74.08 132.21 42.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -79.58 149.48 31.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.383 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.3 mm -56.27 -38.73 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.257 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 11.7 pt-20 -63.96 -27.81 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 10.0 111.097 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -77.93 -40.59 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.52 -41.8 91.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.251 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 97.0 mttt -60.45 -36.31 77.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.755 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.23 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.62 -35.84 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 10.0 109.71 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.55 -32.54 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.843 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 44.0 tt0 -69.94 -29.15 66.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.306 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -54.69 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.729 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -76.13 -60.94 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -73.45 -33.53 64.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.05 35.82 14.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.349 -0.929 . . . . 10.0 112.246 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.23 123.36 37.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.7 Cg_endo -55.83 126.78 23.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 10.0 112.288 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 42.5 Cg_exo -59.11 -28.15 87.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.462 2.775 . . . . 10.0 112.437 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -69.25 -19.59 63.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.47 8.23 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.578 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.0 117.3 29.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -111.21 99.47 8.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.8 121.47 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.834 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.467 HG22 ' HA3' ' D' ' 47' ' ' GLY . 54.5 mt -120.21 138.48 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.634 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' D' ' 46' ' ' ALA . 29.1 t80 -153.95 136.64 15.22 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.65 4.42 3.37 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA2' ' HA2' ' D' ' 47' ' ' GLY . . . 102.4 1.08 50.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 48' ' ' ARG . 62.8 mtt180 -123.13 159.2 29.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.713 0.292 . . . . 10.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.7 144.72 26.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.611 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.3 mt -94.69 118.73 32.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 71.8 mm-40 -75.74 140.4 42.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.385 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.7 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 1.8 m-20 -53.83 -44.16 70.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.822 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.07 9.72 37.74 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 114.782 0.673 . . . . 10.0 114.782 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 40.5 mmt180 -104.47 155.16 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.497 0.649 . . . . 10.0 110.166 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.0 p -98.97 166.09 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 53.6 mt -64.04 -29.59 70.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.18 0.514 . . . . 10.0 110.409 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -23.44 61.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.901 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -66.54 -37.14 84.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.134 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -97.13 -3.17 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.401 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 t30 64.48 57.0 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.64 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.45 132.83 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.383 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -102.09 174.66 5.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.966 0.412 . . . . 10.0 111.836 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 20.4 ttp-105 -68.2 144.04 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.314 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 66.97 44.62 1.95 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.795 0.684 . . . . 10.0 112.798 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -107.56 137.31 45.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.628 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 6.6 m -98.44 119.36 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 10.0 110.641 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -109.47 156.96 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.766 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.784 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 63.5 m-70 -102.69 128.79 49.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.878 0.371 . . . . 10.0 111.433 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.26 109.3 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.868 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.03 159.37 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.155 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -84.02 134.34 34.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -106.16 87.28 2.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 10.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.9 tp -88.28 141.86 28.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.178 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -114.42 98.58 6.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.976 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.8 -108.74 3.24 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.31 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.685 ' HA3' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.2 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.404 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.753 0.311 . . . . 10.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.841 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 57.7 mt-30 -109.46 128.88 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.508 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -112.82 155.99 13.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.424 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' D' ' 64' ' ' GLU . 84.1 m-85 -115.81 117.38 30.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.84 125.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.812 0.339 . . . . 10.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' D' ' 69' ' ' LEU . 5.7 mmtm -92.55 113.66 25.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.291 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' THR . . . . . 0.491 ' HA ' HD23 ' D' ' 69' ' ' LEU . 70.6 p -74.87 176.43 7.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 10.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.77 -20.84 61.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.201 0.524 . . . . 10.0 110.223 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -10.75 58.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.993 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.1 19.71 38.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.863 -0.684 . . . . 10.0 111.479 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.2 128.05 43.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.49 101.12 12.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.205 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 pt -90.82 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.347 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.98 126.92 51.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.695 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.574 HD11 HG12 ' D' ' 30' ' ' ILE . 58.1 mt -121.29 157.69 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.863 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -126.63 110.6 13.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.205 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' VAL . . . . . 0.511 HG11 HG22 ' D' ' 26' ' ' VAL . 16.8 m -140.43 -176.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.965 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 6.4 mm-40 -107.86 154.64 40.91 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.34 -27.54 81.59 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 10.0 111.485 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 1.46 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.286 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -72.13 142.56 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 10.0 110.823 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.61 31.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 45.6 mm -55.63 -46.84 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 111.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.64 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 16.4 pt-20 -71.25 -21.99 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -71.08 -39.23 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.055 0.455 . . . . 10.0 110.212 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.511 HG22 HG11 ' D' ' 17' ' ' VAL . 21.1 t -71.92 -25.71 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.383 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.02 -37.16 76.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.715 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.404 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.84 -28.48 66.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.822 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ILE . . . . . 0.574 HG12 HD11 ' D' ' 15' ' ' LEU . 16.1 mt -70.6 -33.08 51.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -73.98 -33.2 63.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.799 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.45 -23.52 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.565 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -100.89 -49.98 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -99.28 -44.81 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.27 15.96 11.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.456 -0.878 . . . . 10.0 113.554 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 50.6 mt -84.9 126.73 67.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 31.8 Cg_exo -60.69 131.48 37.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.748 2.299 . . . . 10.0 111.845 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.4 Cg_exo -55.56 -29.97 72.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.263 2.642 . . . . 10.0 112.431 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ASP . . . . . 0.607 ' O ' ' HD3' ' D' ' 72' ' ' ARG . 35.9 t70 -72.58 -20.66 61.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.01 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.53 -10.38 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.979 0.418 . . . . 10.0 110.397 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 79.2 mt-30 -83.18 110.46 18.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.052 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' D' ' 72' ' ' ARG . 31.6 ttp85 -109.75 102.15 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.609 HD22 HD13 ' D' ' 67' ' ' LEU . 20.1 mt -91.85 124.18 35.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.451 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' D' ' 49' ' ' GLN . 38.6 mt -124.83 125.96 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.231 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.628 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 38.6 t80 -115.6 116.18 27.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.734 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 46' ' ' ALA . . . . . 0.784 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 56.21 44.19 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.145 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 47' ' ' GLY . . . . . 0.467 ' HA3' HG22 ' B' ' 44' ' ' ILE . . . 82.69 -10.71 55.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.611 -0.804 . . . . 10.0 114.364 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.412 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 69.7 mtt180 -112.53 124.66 53.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.703 0.751 . . . . 10.0 111.707 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' D' ' 44' ' ' ILE . 29.5 tt0 -64.86 143.21 58.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' D' ' 45' ' ' PHE . 37.6 mt -94.29 125.02 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.787 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.597 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 48.7 mt-10 -73.41 127.99 34.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 52' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' D' ' 24' ' ' GLU . 1.6 m-20 -50.95 -34.03 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -4.39 90.47 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.067 -0.587 . . . . 10.0 114.296 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.597 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 37.8 mmt180 -92.0 172.64 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.234 0.517 . . . . 10.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -115.22 176.88 4.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.148 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.69 -29.43 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.969 0.414 . . . . 10.0 110.02 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -33.62 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.996 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -64.32 -26.97 68.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.08 9.31 20.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 10.0 112.111 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 50.79 58.95 4.97 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.499 0.666 . . . . 10.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 68.6 mt -99.87 127.0 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -120.96 -166.89 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.206 0.527 . . . . 10.0 111.849 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 65.0 tttt -67.96 141.78 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.538 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' CE2' ' D' ' 4' ' ' PHE . 3.8 mt-10 78.5 4.43 2.6 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -71.93 142.11 49.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.0 m -107.62 131.25 54.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 67' ' ' LEU . . . . . 0.609 HD13 HD22 ' D' ' 43' ' ' LEU . 0.6 OUTLIER -107.37 135.29 49.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.281 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -90.63 109.45 20.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.931 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' D' ' 7' ' ' THR . 57.3 tp -96.47 109.4 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 10.0 109.925 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.9 m -109.09 170.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.025 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -75.98 144.41 40.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.002 0.43 . . . . 10.0 110.922 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 72' ' ' ARG . . . . . 0.624 ' HA ' ' HD3' ' D' ' 42' ' ' ARG . 3.3 ttp180 -81.59 71.76 8.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 10.0 110.286 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.89 117.27 25.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.558 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -110.03 179.4 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.947 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' E' ' 48' ' ' LYS . . . -65.08 113.27 5.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.061 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.588 ' HA2' ' NZ ' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.216 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.039 0.447 . . . . 10.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -85.86 123.98 31.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -116.31 156.33 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 10.0 111.22 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 96.8 m-85 -120.83 113.44 20.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.342 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -104.26 134.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.692 ' HG2' HG23 ' E' ' 12' ' ' THR . 77.9 mttt -123.0 141.57 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -99.58 172.41 7.31 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.326 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.27 -25.12 67.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 10.0 111.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -82.87 -3.68 57.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.56 -8.85 68.98 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.694 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.685 ' NZ ' ' HA3' ' B' ' 76' ' ' GLY . 8.9 tmtm? -65.12 123.79 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.934 0.397 . . . . 10.0 110.616 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 12' ' ' THR . . . . . 0.692 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.4 m -107.31 146.45 31.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.6 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -144.42 133.75 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 10.0 110.782 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -93.8 128.59 40.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.04 153.34 47.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.64 97.85 7.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.709 HG11 HG22 ' E' ' 26' ' ' VAL . 24.8 t -121.18 137.98 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.415 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -70.22 147.9 95.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.75 -31.45 85.89 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.541 2.16 . . . . 10.0 111.885 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 21.64 8.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.669 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -91.75 148.19 22.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.651 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.408 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -84.15 154.94 22.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.069 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.02 -33.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.331 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -56.17 -44.65 79.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.209 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 97.9 m-20 -68.65 -36.39 78.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.709 HG22 HG11 ' E' ' 17' ' ' VAL . 39.6 t -61.26 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.83 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' LYS . . . . . 0.656 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 90.0 mttt -58.61 -39.9 81.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.023 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' E' ' 17' ' ' VAL . 67.5 mttm -68.45 -37.38 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.919 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.13 -33.93 66.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.999 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -70.71 -22.32 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.073 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -83.79 -48.23 10.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.601 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -76.33 -54.12 7.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -84.07 -44.49 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.43 41.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.645 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -82.17 123.17 79.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 37.7 Cg_exo -59.13 139.82 92.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.427 2.085 . . . . 10.0 111.142 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.656 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 65.0 Cg_exo -54.31 -33.51 76.32 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.09 2.527 . . . . 10.0 111.912 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 7.41 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.797 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -124.47 2.43 8.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' E' ' 69' ' ' LEU . 74.3 mt-30 -101.88 152.22 21.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.391 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 42.1 ttm-85 -146.7 102.94 3.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.427 ' HB3' HD12 ' E' ' 50' ' ' LEU . 48.3 mt -87.65 131.1 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.031 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 64.8 mt -129.12 121.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.722 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.53 ' HB3' HD21 ' E' ' 50' ' ' LEU . 67.4 t80 -121.56 120.88 36.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.83 22.58 13.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.714 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.22 -3.5 76.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.588 ' NZ ' ' HA2' ' D' ' 76' ' ' GLY . 22.0 tttp -105.4 128.41 53.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.795 0.331 . . . . 10.0 110.622 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -70.32 142.42 52.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.197 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' E' ' 45' ' ' PHE . 19.8 mt -99.41 122.08 42.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -78.91 156.74 28.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.279 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.01 -54.13 24.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.77 50.35 3.27 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 114.908 0.723 . . . . 10.0 114.908 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -144.94 164.9 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.991 0.395 . . . . 10.0 110.072 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.92 160.37 15.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.6 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.81 -27.97 69.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.079 0.466 . . . . 10.0 110.975 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.953 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -73.4 -18.52 61.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.126 0.488 . . . . 10.0 110.644 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.08 10.23 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p30 44.66 51.43 8.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -84.84 107.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -78.7 179.29 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' E' ' 63' ' ' LYS . 14.9 ttpp -71.74 138.67 48.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.085 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 27.8 mt-10 68.78 28.24 5.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.8 0.667 . . . . 10.0 112.8 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -88.57 126.15 35.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 117.05 8.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.03 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.61 131.34 52.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -97.23 133.79 41.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.792 0.33 . . . . 10.0 111.694 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' E' ' 41' ' ' GLN . 34.1 tp -121.23 116.13 24.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' E' ' 42' ' ' ARG . 13.8 m -115.33 -170.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.75 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -86.15 150.72 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.255 0.55 . . . . 10.0 111.768 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 0.4 OUTLIER -142.27 112.98 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.611 178.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.742 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.992 0.425 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' B' ' 14' ' ' THR . 79.6 mt-30 -105.27 125.09 50.59 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.295 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -104.55 151.6 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 66' ' ' THR . 45.3 m-85 -103.62 125.3 50.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -120.93 123.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 16.4 ttmm -108.89 131.03 55.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.955 0.407 . . . . 10.0 111.02 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -86.14 -167.01 1.7 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.4 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -82.29 -10.29 59.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.727 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -94.36 -4.03 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 10.0 111.199 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 -5.63 69.42 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.307 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 17.9 ttm180 -71.28 134.69 46.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.586 0.231 . . . . 10.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -117.2 121.58 41.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.764 0.316 . . . . 10.0 110.471 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -109.55 154.26 11.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.287 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.53 HG22 ' HB3' ' B' ' 2' ' ' GLN . 3.3 m -124.79 134.45 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 10.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.8 152.23 48.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.76 0.314 . . . . 10.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.41 123.58 31.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.529 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.64 156.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.977 0.417 . . . . 10.0 111.628 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.95 155.92 35.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.983 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.79 -24.65 74.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.564 2.176 . . . . 10.0 112.062 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -98.39 2.65 48.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.62 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -64.77 125.93 26.33 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -77.48 158.16 30.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.611 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.643 HG22 ' HE3' ' B' ' 27' ' ' LYS . 47.5 mm -56.92 -41.98 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.614 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -67.17 -33.48 75.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.161 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.99 -41.01 91.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.3 t -62.44 -42.95 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.58 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' B' ' 23' ' ' ILE . 90.0 mttt -58.83 -41.63 87.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.56 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.33 90.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.417 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 58.0 mt -68.9 -39.17 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.572 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -66.61 -36.9 83.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.911 0.386 . . . . 10.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.41 -13.61 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.246 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -101.93 -58.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.757 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -90.34 -38.6 13.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.823 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -22.24 13.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.704 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.82 122.67 63.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 122.319 0.248 . . . . 10.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.5 Cg_endo -59.15 139.19 89.31 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.928 2.419 . . . . 10.0 111.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.6 Cg_exo -59.89 -30.12 91.06 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.208 2.605 . . . . 10.0 113.594 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 11.8 p-10 -71.75 -25.08 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 111.584 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.54 4.7 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.957 0.408 . . . . 10.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 75.3 mt-30 -90.41 155.32 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.789 ' HB3' HG23 ' B' ' 70' ' ' VAL . 18.4 ttt180 -144.3 103.46 3.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.48 123.78 34.45 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.422 -0.353 . . . . 10.0 111.497 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -125.33 135.11 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.726 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.414 ' HB2' HD23 ' B' ' 67' ' ' LEU . 64.8 t80 -138.09 127.22 24.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.375 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.01 16.06 7.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.176 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.11 -8.68 65.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.598 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.9 156.73 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.781 -0.246 . . . . 10.0 110.715 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.32 146.52 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.33 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' B' ' 45' ' ' PHE . 78.8 mt -89.58 111.57 22.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.772 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 49.6 mm-40 -75.68 135.57 40.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.734 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.521 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 m-20 -62.38 -19.64 63.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.019 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.94 5.15 78.97 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.358 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 17.0 mmt180 -117.1 154.28 31.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.7 p -94.96 172.35 8.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.61 -32.18 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 10.0 110.496 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -16.57 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.013 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' B' ' 55' ' ' THR . 5.2 m-20 -72.0 -21.6 61.54 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.025 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.99 9.49 18.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 61.45 38.94 15.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.685 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.19 119.07 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -111.77 -159.87 0.7 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.366 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -82.74 151.96 25.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.29 1.57 3.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.564 0.54 . . . . 10.0 112.313 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -68.66 130.03 41.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.078 0.466 . . . . 10.0 110.377 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 10.8 m -102.11 130.4 48.7 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 45' ' ' PHE . 5.0 mp -116.18 160.43 20.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.918 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -104.88 142.38 34.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 10.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.07 116.69 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.189 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' B' ' 42' ' ' ARG . 0.8 OUTLIER -127.81 175.05 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.048 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.7 160.16 19.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.956 0.407 . . . . 10.0 111.28 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -87.59 125.89 34.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.338 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 1.7 pp -90.97 164.52 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.616 -0.266 . . . . 10.0 110.692 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -89.71 117.55 28.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.068 0.461 . . . . 10.0 111.461 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.448 ' O ' ' HG2' ' E' ' 11' ' ' LYS . . . -80.88 -48.62 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 10.0 111.982 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.794 ' HA2' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 10.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.791 0.329 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.71 138.11 36.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.073 0.463 . . . . 10.0 111.718 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -127.59 177.21 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -119.6 132.04 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.792 0.329 . . . . 10.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' D' ' 67' ' ' LEU . 72.6 t -125.98 131.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' D' ' 11' ' ' LYS . 27.9 mmmt -98.81 130.02 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -81.21 -178.07 6.75 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.565 ' HG ' HD23 ' D' ' 69' ' ' LEU . 54.0 mt -69.97 -18.44 63.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.009 0.433 . . . . 10.0 110.134 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.49 -15.05 29.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.28 50.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.753 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' D' ' 6' ' ' LYS . 85.8 tttt -70.48 138.11 50.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -101.77 98.96 9.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 44.6 pt -92.41 146.91 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.113 -0.329 . . . . 10.0 110.113 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.03 117.68 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.944 0.402 . . . . 10.0 110.469 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.482 HD11 HG12 ' D' ' 30' ' ' ILE . 86.7 mt -117.41 139.96 50.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -104.07 113.08 26.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.597 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.47 169.13 21.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.434 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 12.3 mm-40 -101.03 153.44 37.73 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.76 -24.46 75.82 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.461 2.107 . . . . 10.0 111.968 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.92 3.94 51.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.6 OUTLIER -76.27 153.19 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' D' ' 55' ' ' THR . 0.8 OUTLIER -92.8 158.22 15.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.785 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.421 HD12 HD13 ' D' ' 50' ' ' LEU . 47.4 mm -60.48 -39.75 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.95 0.405 . . . . 10.0 110.274 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.922 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -70.67 -40.19 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.014 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.31 -38.4 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.5 -40.11 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.482 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.48 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.031 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.401 ' HB3' HD22 ' D' ' 15' ' ' LEU . 21.6 mttt -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.482 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ILE . . . . . 0.482 HG12 HD11 ' D' ' 15' ' ' LEU . 56.4 mt -68.32 -34.39 65.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 64.7 tt0 -74.37 -27.47 60.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.311 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -77.8 -43.14 31.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -81.19 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.55 -47.76 9.57 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.614 0.228 . . . . 10.0 111.614 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 113.27 12.45 12.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.418 -0.896 . . . . 10.0 112.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 61.8 mt -78.33 121.02 83.26 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 24.4 Cg_exo -65.1 129.73 23.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.821 2.347 . . . . 10.0 111.422 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.8 Cg_exo -55.39 -25.24 47.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.337 2.692 . . . . 10.0 112.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.41 -34.28 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.491 . . . . 10.0 110.644 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.53 9.51 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' GLN . . . . . 0.412 HE22 ' HB ' ' D' ' 30' ' ' ILE . 56.6 mt-30 -95.84 150.24 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.136 0.493 . . . . 10.0 111.996 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -166.12 97.59 0.62 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.096 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 HD13 ' D' ' 67' ' ' LEU . 66.2 mt -91.32 136.3 33.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.921 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mm -114.91 134.14 58.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.151 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' D' ' 50' ' ' LEU . 58.5 t80 -128.12 123.14 33.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.675 -0.238 . . . . 10.0 110.391 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.11 -37.64 0.37 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.92 -8.76 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.69 -0.767 . . . . 10.0 112.689 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.423 HH21 HG13 ' B' ' 70' ' ' VAL . 93.0 mtt180 -115.21 155.22 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.848 0.356 . . . . 10.0 111.232 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.04 135.33 35.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.465 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 45' ' ' PHE . 31.2 mt -79.7 117.96 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.47 146.2 40.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.47 42.09 2.57 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.411 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -131.02 153.04 49.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 77.8 p -99.47 171.51 7.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 37.8 mt -66.58 -33.17 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.035 0.445 . . . . 10.0 110.219 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -23.73 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.679 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.6 -37.02 77.44 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.286 0.565 . . . . 10.0 110.125 179.314 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.97 8.01 34.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.051 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.79 35.84 19.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.043 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.33 122.37 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -110.56 -166.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.282 0.563 . . . . 10.0 111.902 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -70.84 139.78 50.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.762 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 65.4 27.76 11.8 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -74.53 156.61 36.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 11.7 m -117.02 114.88 24.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.293 0.568 . . . . 10.0 111.355 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 67' ' ' LEU . . . . . 0.557 ' HB2' HG22 ' D' ' 5' ' ' VAL . 89.2 mt -105.72 124.14 49.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.802 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -99.84 131.05 46.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.975 0.417 . . . . 10.0 110.88 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' D' ' 8' ' ' LEU . 8.4 tp -92.52 131.63 37.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.022 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.0 154.81 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' LEU . . . . . 0.583 ' HG ' ' H ' ' D' ' 73' ' ' LEU . 33.1 tp -68.67 133.43 48.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.826 0.346 . . . . 10.0 111.255 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -112.08 29.9 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.489 0.662 . . . . 10.0 109.857 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 73' ' ' LEU . . . . . 0.583 ' H ' ' HG ' ' D' ' 71' ' ' LEU . 18.7 tp -121.72 124.48 44.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.985 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -74.22 125.89 29.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.28 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.61 64.33 0.27 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.549 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.528 ' C ' ' HE3' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.108 -0.568 . . . . 10.0 112.139 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.945 0.402 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -73.11 133.01 43.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 10.0 111.978 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -113.42 166.33 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.904 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.459 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 11.0 m-85 -121.79 102.91 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.835 0.35 . . . . 10.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' E' ' 13' ' ' ILE . 25.7 t -95.13 122.27 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.092 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -120.28 163.36 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.115 0.483 . . . . 10.0 110.914 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -122.41 -166.81 1.47 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.46 HD22 HG12 ' E' ' 70' ' ' VAL . 0.6 OUTLIER -101.02 -5.48 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 110.504 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 4.9 t -99.5 -20.33 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.836 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.9 -6.6 8.9 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.183 -1.008 . . . . 10.0 113.604 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.794 ' HZ3' ' HA2' ' B' ' 76' ' ' GLY . 11.6 mmtm -72.03 131.47 42.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.603 0.24 . . . . 10.0 111.029 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -131.96 131.01 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.298 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' E' ' 5' ' ' VAL . 3.1 tp -131.24 134.36 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.84 125.11 45.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.536 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.07 152.64 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.911 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -98.53 110.65 23.21 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.631 HG13 ' HE3' ' E' ' 29' ' ' LYS . 38.5 t -133.59 132.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.494 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.19 147.61 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.51 -29.91 85.57 Favored 'Trans proline' 0 N--CA 1.473 0.293 0 C-N-CA 122.776 2.317 . . . . 10.0 112.395 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 9.72 14.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.555 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -84.24 163.94 19.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.481 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.514 ' O ' HG23 ' E' ' 26' ' ' VAL . 19.4 p -101.02 151.84 21.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.792 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.15 -41.16 68.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.248 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -58.06 -40.31 80.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.965 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 65.0 t30 -72.83 -35.01 67.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.557 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.526 HG22 HG11 ' E' ' 17' ' ' VAL . 62.1 t -63.49 -42.36 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 82.5 mttt -58.52 -39.32 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.308 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.68 84.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.567 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.631 ' HE3' HG13 ' E' ' 17' ' ' VAL . 28.5 mttm -63.83 -38.66 91.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.929 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.17 -34.13 64.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.508 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.69 -18.28 62.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.227 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.71 -29.3 36.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.772 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -97.8 -50.32 4.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.873 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.86 -52.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.44 -5.59 26.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.515 -0.85 . . . . 10.0 113.151 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 2.6 mp -75.61 128.37 84.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.605 0.24 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' E' ' 36' ' ' ILE . 26.5 Cg_exo -63.23 145.73 93.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.04 2.494 . . . . 10.0 112.371 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 50.7 Cg_exo -56.3 -27.68 68.15 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.353 2.702 . . . . 10.0 112.221 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -21.57 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.011 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -106.09 2.56 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.994 0.426 . . . . 10.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -96.93 118.0 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.798 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' E' ' 70' ' ' VAL . 15.4 ttt180 -117.11 98.06 6.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 177.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.641 ' HB3' HD12 ' E' ' 50' ' ' LEU . 14.5 mt -89.12 131.31 35.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.949 -0.569 . . . . 10.0 112.464 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -131.12 127.63 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.116 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.538 ' HB3' HD21 ' E' ' 50' ' ' LEU . 29.4 t80 -116.37 109.53 17.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.717 0.294 . . . . 10.0 111.415 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.91 39.78 23.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.692 -0.685 . . . . 10.0 112.235 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 2.53 90.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.99 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.528 ' HE3' ' C ' ' D' ' 76' ' ' GLY . 44.4 mmtm -109.6 125.87 53.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.357 . . . . 10.0 110.556 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.2 138.55 57.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.394 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.641 HD12 ' HB3' ' E' ' 43' ' ' LEU . 43.6 mt -100.78 109.12 21.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.833 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.43 143.13 44.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.414 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.0 -47.43 80.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 36.54 2.35 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 115.279 0.871 . . . . 10.0 115.279 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -132.75 168.72 17.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.635 0.717 . . . . 10.0 110.888 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -105.64 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 10.0 111.219 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 56' ' ' LEU . . . . . 0.418 HD11 HG21 ' E' ' 26' ' ' VAL . 8.4 mp -67.99 -42.2 81.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 111.218 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -62.86 -22.02 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.773 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.93 -21.77 66.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 10.0 110.921 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -115.86 19.84 14.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 p30 49.0 40.58 17.35 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.62 134.98 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.476 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 62' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' E' ' 63' ' ' LYS . 33.7 mm-40 -107.83 -140.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' E' ' 62' ' ' GLN . 24.4 ttpp -101.9 133.27 46.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 11.1 mt-10 64.06 30.9 13.81 Favored 'General case' 0 C--O 1.231 0.085 0 O-C-N 123.566 0.541 . . . . 10.0 112.056 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -71.26 137.52 48.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.295 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -79.4 104.05 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 18.1 mt -101.25 131.3 47.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.451 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -96.31 128.62 43.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.81 0.338 . . . . 10.0 111.252 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.68 111.24 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' E' ' 42' ' ' ARG . 32.0 m -111.27 171.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.828 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 34.4 tp -84.48 127.15 33.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 10.0 111.433 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' E' ' 72' ' ' ARG . 6.4 ttp180 -86.36 132.83 33.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.445 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.01 0.433 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.23 123.14 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.267 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.18 151.2 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 66.4 m-85 -112.02 122.45 47.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.903 0.383 . . . . 10.0 111.514 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.0 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.56 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 44.3 tttm -103.75 136.26 43.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.987 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.31 174.07 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.292 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.462 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -63.02 -26.94 69.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.571 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -37.3 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.778 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 133.43 -21.26 4.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.586 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.49 116.04 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 10.0 111.561 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' B' ' 6' ' ' LYS . 4.8 m -108.96 116.61 32.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.462 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 pt -104.03 152.4 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.554 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -106.5 137.62 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.302 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -134.4 142.46 47.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.81 0.338 . . . . 10.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.81 116.18 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.36 171.44 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.354 . . . . 10.0 111.086 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.06 150.93 39.33 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.624 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.4 -27.77 85.85 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.398 2.066 . . . . 10.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.21 1.62 50.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.986 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -72.62 142.71 48.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.064 0.459 . . . . 10.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.1 p -90.7 160.21 15.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.106 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.4 -37.88 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.917 0.389 . . . . 10.0 110.185 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -64.05 -30.0 71.1 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.096 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.75 -42.69 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.83 -41.06 87.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.92 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.3 mttt -57.11 -43.99 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.917 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.47 98.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.312 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.43 -36.77 84.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.76 -34.35 67.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -71.46 -33.11 69.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.661 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.23 -25.28 62.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.924 0.392 . . . . 10.0 110.838 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -96.14 -53.24 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.893 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -91.92 -44.68 8.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.79 -9.03 32.07 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.538 -0.839 . . . . 10.0 113.244 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.89 125.84 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.518 0.199 . . . . 10.0 111.348 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.2 Cg_endo -59.16 130.72 37.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.054 2.503 . . . . 10.0 111.827 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.8 Cg_exo -56.58 -25.8 61.02 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 123.542 2.828 . . . . 10.0 114.25 -178.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -75.83 -21.71 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.86 -8.69 25.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.89 0.376 . . . . 10.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.5 118.91 19.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.546 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 14.8 ttm180 -110.94 96.41 6.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.98 123.31 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.309 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -120.39 130.35 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.864 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.438 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.2 t80 -121.98 130.17 53.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.576 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 66.97 -67.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.853 0.721 . . . . 10.0 111.102 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 14.23 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.531 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.59 150.14 50.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.564 -0.374 . . . . 10.0 110.918 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.57 133.01 35.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' B' ' 45' ' ' PHE . 35.5 mt -74.55 126.32 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' OH ' ' B' ' 59' ' ' TYR . 59.2 mm-40 -74.03 138.01 43.78 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.98 -43.92 73.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.738 1.014 . . . . 10.0 113.738 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.35 20.18 15.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.782 -0.723 . . . . 10.0 114.671 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.4 mmt180 -110.17 156.94 19.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.617 0.708 . . . . 10.0 110.658 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 74.6 p -99.66 168.15 10.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.81 -33.95 75.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 10.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -22.64 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.69 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -71.17 -20.88 62.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' HG2' ' B' ' 51' ' ' GLU . 65.9 m-85 -110.44 8.82 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 10.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.64 34.89 20.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -76.44 110.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -80.25 -168.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 3.3 ttp-105 -86.84 146.92 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.8 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.464 ' N ' ' HG2' ' B' ' 63' ' ' ARG . 44.9 mt-10 60.47 35.63 20.27 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.786 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -95.98 126.44 41.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.686 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.597 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 8.6 m -86.14 109.54 18.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.333 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.09 154.34 17.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.415 ' ND1' ' HB3' ' D' ' 46' ' ' ALA . 62.0 m80 -106.61 124.96 50.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.109 0.481 . . . . 10.0 111.263 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -103.84 117.01 33.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.12 -177.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.5 tp -92.98 137.77 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.189 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 70.3 ttt180 -109.48 130.78 55.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.184 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.85 99.65 12.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -100.0 25.07 7.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.488 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.94 -176.61 15.11 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 10.0 111.24 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.611 ' HA3' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.471 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.198 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.068 0.461 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' D' ' 15' ' ' LEU . 70.3 mt-30 -84.4 133.39 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.939 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.4 163.62 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.259 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.28 127.55 54.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.896 0.379 . . . . 10.0 110.799 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.507 ' HB ' HG13 ' D' ' 13' ' ' ILE . 52.5 t -116.14 127.29 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.271 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.85 127.65 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.615 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -82.03 -179.36 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.09 -20.73 60.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.147 0.499 . . . . 10.0 109.938 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -22.66 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.43 17.12 12.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.917 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -85.07 143.28 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -109.85 111.81 23.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.821 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.507 HG13 ' HB ' ' D' ' 5' ' ' VAL . 22.1 pt -109.27 137.94 38.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.333 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -101.42 126.47 48.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.016 0.436 . . . . 10.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.598 HD21 ' HG3' ' D' ' 33' ' ' LYS . 80.1 mt -123.35 138.96 54.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.635 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -105.67 112.12 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.65 -173.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.317 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 26.2 mm-40 -110.97 153.36 43.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.818 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.8 -32.68 93.12 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.304 2.003 . . . . 10.0 111.526 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.51 10.99 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.465 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 1.1 m-20 -82.62 142.36 31.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.855 0.359 . . . . 10.0 111.432 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 155.35 27.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.085 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 46.5 mm -58.76 -44.96 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.716 0.293 . . . . 10.0 111.226 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 9.4 pt-20 -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.908 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.21 -38.75 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.164 0.507 . . . . 10.0 109.785 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.96 -34.72 72.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -58.01 -34.53 70.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.165 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.21 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD22 ' D' ' 15' ' ' LEU . 58.2 mttt -69.44 -35.33 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 10.0 110.324 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.1 -34.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.2 tt0 -68.65 -26.94 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -86.52 -43.18 12.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.334 -0.393 . . . . 10.0 111.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.598 ' HG3' HD21 ' D' ' 15' ' ' LEU . 49.2 mmtt -70.96 -50.04 38.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.836 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.42 -56.7 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.8 0.333 . . . . 10.0 111.352 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 125.52 -4.66 8.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.838 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 44.5 mt -68.76 122.95 86.76 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.657 0.265 . . . . 10.0 110.761 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 32.4 Cg_exo -61.51 136.89 66.04 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 123.055 2.503 . . . . 10.0 111.564 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 77.2 Cg_exo -52.49 -32.51 53.3 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.577 2.851 . . . . 10.0 113.591 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.99 -29.74 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 10.0 111.468 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -94.09 4.57 53.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.458 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -98.15 145.42 26.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.936 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.7 ttp85 -156.96 102.35 1.99 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.943 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' D' ' 67' ' ' LEU . 51.9 mt -88.2 132.37 34.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.96 135.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.63 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 12.9 t80 -126.54 111.01 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.101 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 46' ' ' ALA . . . . . 0.576 ' HA ' ' H ' ' B' ' 46' ' ' ALA . . . 53.35 43.22 31.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.67 -16.84 43.49 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.966 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -95.64 147.0 24.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 117.108 0.454 . . . . 10.0 111.529 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' GLN . . . . . 0.406 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 25.9 tt0 -88.02 133.84 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.09 115.94 23.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.062 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.651 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 46.4 mt-10 -71.57 129.67 39.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 52' ' ' ASP . . . . . 0.582 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 13.2 m-20 -58.77 -25.66 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.926 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.78 10.6 64.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.267 -0.492 . . . . 10.0 113.983 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 21.4 mmt180 -115.17 166.41 11.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.26 0.53 . . . . 10.0 110.102 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -104.92 168.64 8.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.217 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.99 -32.93 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 10.0 109.932 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -27.36 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.596 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -64.76 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 10.0 111.483 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.28 0.07 47.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 61.09 47.48 7.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 mt -88.24 111.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -93.97 -163.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.651 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 81.2 tttt -78.17 150.23 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 39.0 mt-10 73.99 12.04 4.33 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -77.57 149.28 34.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.417 -0.216 . . . . 10.0 110.417 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 5.2 m -114.45 117.47 31.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.093 0.473 . . . . 10.0 111.816 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 67' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' D' ' 43' ' ' LEU . 18.9 mt -108.83 149.46 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -126.57 148.33 49.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.7 -0.4 . . . . 10.0 111.747 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -115.94 152.13 17.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.03 119.05 6.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 10.0 111.632 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -94.55 -44.14 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.386 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' LEU . . . . . 0.611 ' H ' HD23 ' D' ' 73' ' ' LEU . 0.9 OUTLIER -84.23 111.24 19.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.522 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.62 18.23 3.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.345 0.593 . . . . 10.0 111.071 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 75' ' ' GLY . . . . . 0.424 ' C ' ' HE2' ' E' ' 48' ' ' LYS . . . 83.72 175.73 51.01 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.54 -0.754 . . . . 10.0 112.674 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 121.218 -0.515 . . . . 10.0 113.202 -179.628 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.056 0.455 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' GLN . . . . . 0.605 ' HB2' ' HG3' ' E' ' 16' ' ' GLU . 36.3 tt0 -75.68 119.22 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.427 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.461 ' H ' HG13 ' E' ' 3' ' ' ILE . 2.0 pp -113.65 175.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.098 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' E' ' 66' ' ' THR . 96.0 m-85 -116.23 136.08 53.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 10.0 111.205 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' E' ' 13' ' ' ILE . 46.6 t -121.19 125.9 74.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -118.22 162.61 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 10.0 111.813 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -125.26 176.22 6.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.089 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.89 -23.75 62.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 10.0 110.061 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -31.58 58.89 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.49 -0.777 . . . . 10.0 110.329 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.67 -11.11 13.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 10.0 112.567 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.611 ' HZ3' ' HA3' ' B' ' 76' ' ' GLY . 39.6 mmtm -60.79 114.53 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.007 0.432 . . . . 10.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -103.97 146.32 28.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.366 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' E' ' 5' ' ' VAL . 11.2 tp -142.47 154.66 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.265 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p -114.08 141.74 47.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.29 128.88 12.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 16' ' ' GLU . . . . . 0.605 ' HG3' ' HB2' ' E' ' 2' ' ' GLN . 2.1 mp0 -89.3 104.88 17.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.209 -0.664 . . . . 10.0 109.209 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.69 HG13 ' HE3' ' E' ' 29' ' ' LYS . 40.7 t -121.66 140.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.462 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' E' ' 19' ' ' PRO . 42.4 mm-40 -74.12 143.26 80.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.302 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 24.5 Cg_exo -64.44 -23.79 64.63 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.695 2.263 . . . . 10.0 111.608 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 13.94 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.897 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.12 143.97 27.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.717 0.294 . . . . 10.0 110.969 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' E' ' 25' ' ' ASN . 0.1 OUTLIER -76.81 160.11 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.751 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ILE . . . . . 0.707 HG23 HD12 ' E' ' 43' ' ' LEU . 31.8 mm -57.99 -41.04 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.153 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.33 -29.32 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.975 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 4.5 m-20 -67.55 -41.4 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.622 HG22 HG11 ' E' ' 17' ' ' VAL . 20.3 t -64.68 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.58 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' LYS . . . . . 0.536 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 86.0 mttt -59.76 -41.38 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.598 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.75 92.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.229 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.69 ' HE3' HG13 ' E' ' 17' ' ' VAL . 35.1 mttm -62.32 -40.95 98.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.576 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.68 -38.09 79.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.13 0.49 . . . . 10.0 109.837 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.4 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.38 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.8 -25.44 59.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -89.71 -60.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.992 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.55 -49.7 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 5.19 13.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.434 -0.889 . . . . 10.0 112.299 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -83.88 123.51 75.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.4 Cg_exo -56.4 141.63 89.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.894 2.396 . . . . 10.0 112.275 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 50.6 Cg_exo -57.07 -33.55 95.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.374 2.716 . . . . 10.0 112.845 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -4.97 37.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.979 0.419 . . . . 10.0 111.756 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' GLN . . . . . 0.563 HE21 HD11 ' E' ' 71' ' ' LEU . 33.1 mt-30 -108.81 4.99 24.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.019 0.438 . . . . 10.0 110.101 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -110.47 140.57 44.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.249 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.7 ' HB3' HG23 ' E' ' 70' ' ' VAL . 17.9 ttm180 -130.32 97.66 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.707 HD12 HG23 ' E' ' 23' ' ' ILE . 10.3 mt -72.17 124.1 24.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.09 128.71 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.448 -0.797 . . . . 10.0 109.062 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' E' ' 50' ' ' LEU . 53.8 t80 -128.66 115.03 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.96 30.39 19.59 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.1 -9.16 78.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.642 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' D' ' 75' ' ' GLY . 2.7 mmtp -96.57 127.86 42.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.663 0.268 . . . . 10.0 110.792 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -75.9 128.56 35.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' E' ' 43' ' ' LEU . 14.3 mt -87.34 123.13 31.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 10.0 111.245 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -75.04 139.48 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.246 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.15 -42.48 77.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.69 0.996 . . . . 10.0 113.69 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.09 17.32 17.95 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 115.042 0.777 . . . . 10.0 115.042 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 54' ' ' ARG . . . . . 0.419 ' O ' HG12 ' E' ' 23' ' ' ILE . 81.6 mtp180 -114.7 165.47 12.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.59 0.695 . . . . 10.0 110.973 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 0.6 OUTLIER -103.74 179.66 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 10.0 111.927 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.11 -36.88 72.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.939 0.4 . . . . 10.0 111.217 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.91 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.3 m-20 -58.36 -40.45 82.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.087 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 59' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 7.5 m-85 -106.53 20.04 19.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.715 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.32 39.2 4.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 31.7 mt -73.54 117.57 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.258 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -100.38 -164.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.096 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -77.81 157.13 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.003 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 61.48 28.52 17.83 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 21.1 m -89.77 161.52 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.219 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 66' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 4.7 m -117.42 118.93 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.457 . . . . 10.0 112.088 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -100.12 165.94 11.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.838 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.2 135.54 53.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.531 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -113.87 87.51 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.081 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' E' ' 42' ' ' ARG . 3.0 m -104.0 162.28 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.39 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 71' ' ' LEU . . . . . 0.563 HD11 HE21 ' E' ' 40' ' ' GLN . 39.0 tp -77.84 132.84 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.641 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -102.47 134.16 46.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.582 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.025 -179.861 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.301 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.72 138.2 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.955 0.407 . . . . 10.0 111.222 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -124.96 167.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.779 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.35 129.21 56.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.551 0.215 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -110.75 114.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' B' ' 10' ' ' GLY . 46.5 tttm -113.77 141.63 47.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.5 p -96.15 -174.82 3.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.89 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.88 -24.26 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 10.0 110.525 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -75.41 -46.78 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.292 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' B' ' 6' ' ' LYS . . . 147.37 -23.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.317 -0.944 . . . . 10.0 112.831 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 22.8 ttm180 -52.98 125.29 16.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 10.0 111.969 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 0.2 OUTLIER -122.52 122.42 38.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.516 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.484 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.3 pt -113.78 141.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.794 0.331 . . . . 10.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.23 122.72 41.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.759 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.29 144.43 50.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -92.65 125.56 37.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.725 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.73 164.17 15.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -104.72 146.02 31.83 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.07 -31.16 81.78 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.48 2.12 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.41 -5.0 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -68.33 133.04 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 10.0 110.451 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 154.24 35.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.655 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.95 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.5 mm -57.72 -39.13 68.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -64.19 -29.88 70.97 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.84 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.86 -38.19 67.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.77 -37.64 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.274 -0.876 . . . . 10.0 109.839 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 31.5 mmtp -57.76 -36.71 72.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.472 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.81 92.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.578 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.63 -40.45 84.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.88 0.372 . . . . 10.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.22 -35.63 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.235 0.54 . . . . 10.0 109.647 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.475 ' HG3' ' HD3' ' B' ' 38' ' ' PRO . 1.9 tt0 -72.31 -23.32 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.555 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.71 -42.67 15.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.531 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -77.3 -56.55 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -81.72 -52.64 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.456 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 117.03 -11.21 14.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.345 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 127.2 91.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 122.521 0.329 . . . . 10.0 110.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 27.5 Cg_endo -62.85 133.65 42.83 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 10.0 112.307 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 53.4 Cg_exo -55.79 -28.68 68.37 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.563 2.842 . . . . 10.0 113.195 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -25.35 66.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -106.57 3.17 26.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.876 0.37 . . . . 10.0 111.049 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -84.48 104.01 14.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.518 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 11.7 ttt180 -100.74 96.09 7.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' B' ' 50' ' ' LEU . 28.7 mt -87.71 123.99 33.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -121.43 134.63 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -133.8 132.54 40.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.786 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.85 -67.53 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.759 0.662 . . . . 10.0 111.282 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.74 15.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.522 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -132.74 160.63 36.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 10.0 110.617 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -83.2 141.86 31.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' B' ' 43' ' ' LEU . 82.4 mt -84.0 112.54 20.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.97 120.61 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.95 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 m-20 -54.28 -32.03 55.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.76 -1.32 77.56 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.853 -0.689 . . . . 10.0 113.562 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 17.2 mmt180 -105.08 165.46 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.0 0.4 . . . . 10.0 111.436 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.9 p -99.38 -179.57 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.238 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -73.29 -35.58 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.039 0.447 . . . . 10.0 110.021 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -23.9 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.021 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.81 -39.68 92.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -97.69 7.56 46.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.16 35.1 13.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.16 123.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.14 -1.059 . . . . 10.0 108.14 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -113.71 -162.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -73.28 143.15 47.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.792 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.27 20.65 12.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -85.14 130.17 34.66 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.0 m -91.19 125.06 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 10.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 50' ' ' LEU . 5.1 mp -110.77 150.03 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.528 ' ND1' ' HD2' ' D' ' 48' ' ' ARG . 76.1 m-70 -107.77 128.77 54.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.241 0.543 . . . . 10.0 112.411 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -99.41 127.31 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.088 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.68 150.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.05 113.13 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 30.1 ttp180 -74.81 152.64 38.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.693 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.51 169.4 16.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.723 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -81.91 -45.46 15.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.89 79.17 0.54 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.155 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.557 ' HA3' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 C--N 1.332 0.332 0 CA-C-O 119.75 -0.472 . . . . 10.0 112.755 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.492 ' SD ' ' HA ' ' D' ' 62' ' ' GLN . 41.6 ttp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.929 0.395 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -123.33 129.66 51.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.966 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.62 160.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -115.2 113.1 23.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.478 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -99.36 130.89 47.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -109.66 112.81 25.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 10.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 50.5 p -75.99 176.49 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' D' ' 70' ' ' VAL . 46.3 mt -68.36 -23.94 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 10.0 110.334 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -6.19 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.399 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.38 28.23 53.17 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.77 132.85 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.599 0.238 . . . . 10.0 110.387 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 110.08 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.242 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 51.7 mt -110.25 121.11 62.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.03 133.37 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.425 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 mt -134.02 138.07 45.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -87.42 121.19 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -137.18 168.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.265 0.555 . . . . 10.0 112.143 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -112.29 155.31 43.79 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.092 -0.958 . . . . 10.0 108.457 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.68 -33.29 93.45 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.13 1.887 . . . . 10.0 111.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.7 8.15 33.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.982 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.35 136.82 42.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' THR . . . . . 0.449 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -84.79 150.9 24.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.757 0.313 . . . . 10.0 111.743 -178.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.89 -45.97 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.359 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.79 -24.71 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.188 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.28 -44.5 29.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.759 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 22' ' ' THR . 22.3 t -64.88 -32.7 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.189 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' LYS . . . . . 0.799 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 73.5 mttt -57.03 -35.47 69.33 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.887 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.29 79.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.626 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.85 -37.8 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' D' ' 26' ' ' VAL . 71.5 mt -64.91 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.859 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.12 -29.66 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.84 -28.99 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.577 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -90.53 -43.38 10.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.424 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.86 -83.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.29 -28.62 0.34 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.008 -1.092 . . . . 10.0 113.643 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.17 122.72 37.88 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 116.646 0.223 . . . . 10.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.65 137.81 79.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.242 2.628 . . . . 10.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.799 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 48.8 Cg_exo -58.55 -25.17 73.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.286 2.657 . . . . 10.0 112.823 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.97 -40.52 95.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.013 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.25 -27.13 38.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.62 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.26 128.41 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.57 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.401 ' HB3' HG23 ' D' ' 70' ' ' VAL . 28.1 ttp85 -127.65 101.2 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.02 123.55 29.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.784 -0.643 . . . . 10.0 112.471 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 41.7 mm -118.11 129.3 74.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.414 -0.812 . . . . 10.0 108.976 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD11 ' D' ' 50' ' ' LEU . 23.5 t80 -107.82 88.31 2.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.709 0.29 . . . . 10.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.74 51.93 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 -45.9 1.33 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.608 -0.806 . . . . 10.0 114.507 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 50.8 mtt180 -87.45 140.75 29.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -82.98 141.1 32.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.887 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' D' ' 45' ' ' PHE . 12.6 mt -101.68 142.86 32.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.961 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.553 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 70.5 mt-10 -82.02 147.76 28.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.52 -42.69 95.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.47 49.78 4.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.577 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.553 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 27.1 mmt180 -131.76 154.77 48.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.695 0.283 . . . . 10.0 110.535 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.57 173.83 7.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -79.88 -18.93 49.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -10.68 57.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 110.819 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.05 -56.45 6.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.495 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' TYR . . . . . 0.411 ' CG ' HD22 ' D' ' 50' ' ' LEU . 92.8 m-85 -91.56 9.88 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.739 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 64.33 60.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.345 0.593 . . . . 10.0 112.184 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -107.03 114.02 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.492 ' HA ' ' SD ' ' D' ' 1' ' ' MET . 4.9 mt-30 -119.2 -155.72 0.62 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.818 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 70.7 tttt -74.9 142.02 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.57 0.224 . . . . 10.0 110.434 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 15.5 mt-10 77.44 3.83 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.393 -0.821 . . . . 10.0 112.84 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -72.84 142.54 48.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -105.09 129.5 53.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.42 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.37 117.57 30.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -91.66 139.31 30.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.57 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 mt -104.52 143.52 32.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.506 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.555 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.8 m -136.13 178.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.287 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 tp -85.75 156.37 20.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.68 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -90.78 92.51 8.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -103.58 124.59 49.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.166 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -140.27 -178.3 5.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.395 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.11 -166.14 28.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.113 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.699 ' HA3' ' HZ2' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.34 -0.933 . . . . 10.0 112.738 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.689 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 42.3 ttp . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.836 0.35 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.28 119.63 29.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.445 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.409 HD12 HD12 ' E' ' 67' ' ' LEU . 44.7 pt -92.15 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.351 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG3' ' E' ' 64' ' ' GLU . 53.8 m-85 -124.07 92.62 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 10.0 111.514 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.21 123.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' E' ' 66' ' ' THR . 94.6 mttt -124.21 138.35 54.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.092 0.473 . . . . 10.0 111.844 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -100.96 159.49 15.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.287 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.674 HD22 HG12 ' E' ' 70' ' ' VAL . 1.9 pt? -69.32 -12.05 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.32 -10.68 59.0 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.83 0.347 . . . . 10.0 111.293 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 49.72 1.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.869 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.557 ' NZ ' ' HA3' ' B' ' 76' ' ' GLY . 1.5 tmtp? -134.99 136.12 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 10.8 m -124.98 127.59 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.732 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tp -121.14 133.93 66.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.431 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' E' ' 33' ' ' LYS . 17.6 p -95.11 137.79 33.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.145 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.86 145.55 34.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.532 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -88.99 112.71 23.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.017 0.437 . . . . 10.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.426 HG11 HD13 ' E' ' 56' ' ' LEU . 51.4 t -128.53 139.44 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.078 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 66.7 mm-40 -83.91 153.38 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.23 -17.28 56.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.493 2.129 . . . . 10.0 112.074 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -108.81 12.72 25.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.7 OUTLIER -71.81 148.65 46.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.989 0.423 . . . . 10.0 111.422 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.445 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.6 OUTLIER -90.46 155.63 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.02 -43.52 89.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.36 . . . . 10.0 110.929 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -62.64 -33.59 75.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.924 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 5.8 t-20 -69.94 -40.49 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.076 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.445 HG23 ' O ' ' E' ' 22' ' ' THR . 63.6 t -62.73 -42.75 97.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 81.8 mttt -58.63 -39.59 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.271 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.36 94.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.14 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' E' ' 25' ' ' ASN . 58.1 mttt -65.62 -41.05 93.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.66 -35.46 75.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.181 0.515 . . . . 10.0 110.021 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 55.6 tt0 -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.934 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -82.16 -42.04 19.59 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' E' ' 14' ' ' THR . 30.4 mtpp -70.44 -53.24 17.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -97.62 -29.42 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 96.47 26.39 10.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.774 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.91 118.33 57.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.8 Cg_exo -56.88 140.43 91.74 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.889 2.393 . . . . 10.0 112.029 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 52.3 Cg_exo -54.63 -32.79 76.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.322 2.681 . . . . 10.0 112.515 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.27 -34.42 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.237 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.19 2.93 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.647 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -94.75 101.71 13.56 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 45.7 ttm-85 -97.3 88.73 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.442 -0.947 . . . . 10.0 108.442 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.417 ' HB3' HD12 ' E' ' 50' ' ' LEU . 78.9 mt -79.47 119.42 22.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.434 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -117.67 135.54 57.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.736 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.46 ' HB3' HD21 ' E' ' 50' ' ' LEU . 81.7 t80 -133.55 111.09 10.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.593 -0.276 . . . . 10.0 110.32 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 36.21 16.56 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.278 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.54 -7.77 79.74 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.987 -0.625 . . . . 10.0 113.708 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.699 ' HZ2' ' HA3' ' D' ' 76' ' ' GLY . 29.7 tptt -111.62 128.2 55.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.037 0.418 . . . . 10.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.32 143.13 50.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 10.0 110.422 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' E' ' 45' ' ' PHE . 49.1 mt -85.85 107.4 17.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -66.76 141.6 57.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.379 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.73 -43.93 93.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.666 0.988 . . . . 10.0 113.666 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.87 41.44 2.18 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 115.07 0.788 . . . . 10.0 115.07 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 54' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' E' ' 59' ' ' TYR . 75.8 mtp180 -144.16 173.17 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.458 0.629 . . . . 10.0 110.449 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.562 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.8 p -104.96 175.04 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 10.0 111.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' HB ' ' E' ' 61' ' ' ILE . 0.9 OUTLIER -70.87 -35.11 72.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 10.0 110.651 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -15.81 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.5 OUTLIER -61.95 -33.35 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.943 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 59' ' ' TYR . . . . . 0.458 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 24.0 m-85 -106.88 19.36 20.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.454 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 45.91 44.39 11.12 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.259 0.837 . . . . 10.0 113.259 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 61' ' ' ILE . . . . . 0.527 ' HB ' ' HG ' ' E' ' 56' ' ' LEU . 69.2 mt -75.52 107.11 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -85.42 -173.56 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.689 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 1.0 OUTLIER -66.96 140.05 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.796 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG3' ' HE2' ' E' ' 4' ' ' PHE . 1.0 OUTLIER 58.39 59.19 3.09 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.73 0.644 . . . . 10.0 112.165 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -109.95 141.41 42.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.848 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 66' ' ' THR . . . . . 0.548 HG23 ' HD2' ' E' ' 6' ' ' LYS . 10.7 m -78.15 118.84 20.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.758 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 67' ' ' LEU . . . . . 0.409 HD12 HD12 ' E' ' 3' ' ' ILE . 95.3 mt -111.59 108.6 18.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -74.78 130.73 39.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.612 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.23 117.44 25.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.783 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' E' ' 42' ' ' ARG . 9.7 m -123.72 -179.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.295 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.3 140.04 42.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.947 0.403 . . . . 10.0 111.068 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 73.3 ttt-85 -130.29 88.66 2.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.718 179.372 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.59 0.233 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -76.86 114.86 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' B' ' 15' ' ' LEU . 12.0 pt -122.02 145.21 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.335 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -116.44 97.84 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.431 . . . . 10.0 111.293 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.742 ' HB ' HG13 ' B' ' 13' ' ' ILE . 15.0 t -99.77 118.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -110.69 128.41 55.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.083 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -72.8 176.14 5.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.585 -0.279 . . . . 10.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 70' ' ' VAL . 3.2 pp -60.19 -23.59 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -44.15 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 10.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.34 -6.85 1.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.897 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 11' ' ' ARG . 10.9 ttm180 -64.54 123.98 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.776 0.288 . . . . 10.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 125.51 44.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.294 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.742 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.8 pt -110.51 135.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -102.53 135.87 43.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.053 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.456 ' HB2' HD11 ' B' ' 3' ' ' ILE . 2.9 mt -145.86 157.83 43.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.357 . . . . 10.0 110.966 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -101.55 102.25 12.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.72 151.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 10.0 111.528 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.29 151.47 37.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.31 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.92 -31.0 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.573 2.182 . . . . 10.0 112.159 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.36 10.36 12.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.124 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -82.81 131.94 35.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.648 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -78.73 147.36 33.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.693 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' B' ' 50' ' ' LEU . 45.3 mm -56.07 -33.94 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.648 ' HG3' ' HB ' ' B' ' 22' ' ' THR . 0.0 OUTLIER -60.23 -40.88 91.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.742 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.59 -40.0 64.2 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -54.8 -44.7 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.357 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.1 mtmt -66.94 -37.71 84.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -30.47 71.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.389 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -65.74 -45.59 82.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.804 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.83 -34.74 72.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.295 0.569 . . . . 10.0 110.595 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -44.45 10.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.04 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.423 ' HD2' HD21 ' B' ' 15' ' ' LEU . 64.2 tttp -59.57 -56.39 22.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.704 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 127.44 2.0 6.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.243 -0.98 . . . . 10.0 113.04 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.73 119.1 72.23 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.9 Cg_endo -55.42 133.86 60.55 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.921 2.414 . . . . 10.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 33.9 Cg_exo -62.77 -29.04 76.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.206 2.604 . . . . 10.0 112.899 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -72.61 -18.86 61.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 11.1 mt-30 -104.56 1.58 29.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.96 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 78.4 mt-30 -88.37 128.52 35.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.381 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HB3' HG23 ' B' ' 70' ' ' VAL . 11.0 ttt180 -119.16 88.27 2.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.818 0.342 . . . . 10.0 110.643 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 50' ' ' LEU . 21.0 mt -83.56 112.14 19.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.505 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.33 128.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.341 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.8 t80 -131.43 130.5 42.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.688 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.25 21.67 11.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.621 0.576 . . . . 10.0 112.062 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.32 8.07 78.61 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.159 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -122.0 150.93 41.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 10.0 111.471 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.77 135.15 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' B' ' 45' ' ' PHE . 40.0 mt -81.55 115.92 21.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.854 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.54 148.88 42.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.17 -52.36 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.53 25.88 2.36 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 114.979 0.752 . . . . 10.0 114.979 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -120.18 155.22 33.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.425 0.612 . . . . 10.0 110.499 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -102.27 -179.89 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.746 0.308 . . . . 10.0 110.403 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 61' ' ' ILE . 59.2 mt -69.28 -35.26 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 10.0 109.724 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -21.25 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.367 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.4 -42.12 83.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.497 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -95.65 14.68 22.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 t30 63.15 28.23 15.91 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.846 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.0 mt -70.39 120.67 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -116.34 -161.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.41 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.6 ttp-105 -73.96 142.35 45.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.885 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.76 15.22 10.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.507 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -77.58 133.48 38.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.282 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -95.13 132.48 40.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 10.0 112.017 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.72 138.94 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -101.19 121.32 41.64 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.03 88.13 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.222 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' B' ' 42' ' ' ARG . 16.6 m -93.19 -173.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.656 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 tp -82.53 135.4 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.85 68.43 9.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 10.0 110.763 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.18 117.77 22.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.325 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 0.48 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.522 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.95 141.33 12.6 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.829 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.478 ' C ' ' HZ1' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.466 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.983 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.44 ' HG3' ' HB2' ' D' ' 63' ' ' LYS . 26.3 ttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.031 0.443 . . . . 10.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.525 ' HG2' ' HG3' ' D' ' 16' ' ' GLU . 60.2 mt-30 -81.63 120.75 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.282 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.76 157.07 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.89 135.46 54.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 10.0 111.891 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.404 HG22 HD12 ' D' ' 67' ' ' LEU . 43.3 t -122.59 125.19 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -103.24 126.12 50.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.876 0.369 . . . . 10.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 40.1 p -89.83 177.72 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.146 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' D' ' 70' ' ' VAL . 96.2 mt -76.1 -20.5 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.52 . . . . 10.0 110.652 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.18 -10.23 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.74 36.33 7.92 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.954 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -121.54 140.25 52.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.322 . . . . 10.0 110.717 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -108.46 116.25 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.893 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -100.56 135.54 36.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -97.06 117.75 31.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -117.11 149.46 40.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 110.97 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' D' ' 2' ' ' GLN . 3.7 mt-10 -123.43 87.18 2.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.199 0.523 . . . . 10.0 110.449 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -112.29 170.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.861 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.48 151.89 38.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.3 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 31.8 Cg_exo -60.68 -22.19 72.09 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.231 . . . . 10.0 112.231 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -82.96 -9.63 59.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.748 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.74 141.27 42.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.472 . . . . 10.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -83.37 162.94 20.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.226 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.9 -37.79 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 10.0 110.233 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 17.7 pt-20 -62.85 -26.69 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.362 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -73.42 -37.88 65.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.455 . . . . 10.0 109.773 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.24 -40.3 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.087 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -55.69 -41.25 73.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.698 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.31 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.677 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -70.04 -38.32 75.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.26 -38.26 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.169 0.509 . . . . 10.0 109.959 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 50.5 tt0 -70.1 -32.95 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.076 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.49 -42.11 65.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.566 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -85.23 -58.3 2.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -82.23 -41.78 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.001 0.371 . . . . 10.0 112.001 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 102.79 29.83 5.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.209 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -103.52 115.42 63.69 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.3 Cg_exo -56.7 135.23 69.35 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.752 2.302 . . . . 10.0 111.623 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 54.1 Cg_exo -54.31 -28.37 52.58 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.302 2.668 . . . . 10.0 112.756 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -66.1 -32.52 74.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.217 0.532 . . . . 10.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -94.33 3.22 55.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.586 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -95.17 126.35 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.335 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' D' ' 72' ' ' ARG . 24.2 ttp180 -137.4 100.22 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 69' ' ' LEU . 4.4 mp -96.32 128.64 43.43 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -110.75 134.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.345 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.435 ' CE2' HG12 ' D' ' 61' ' ' ILE . 38.7 t80 -113.44 89.97 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.831 -0.348 . . . . 10.0 111.738 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.38 -22.24 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 10.0 114.263 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.63 -56.76 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.525 -0.63 . . . . 10.0 111.525 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' HE1' ' D' ' 59' ' ' TYR . 5.3 mtt180 -73.12 144.06 47.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.725 0.298 . . . . 10.0 110.346 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.02 139.41 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.477 HD11 HD22 ' D' ' 67' ' ' LEU . 86.2 mt -86.14 115.66 23.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.462 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 30.4 mt-10 -81.87 143.52 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -38.63 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.12 12.68 57.53 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.088 -0.577 . . . . 10.0 114.001 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 34.1 mmt180 -101.22 151.87 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.016 0.408 . . . . 10.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 25.9 p -104.99 178.08 4.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 34.1 mt -66.85 -37.52 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 10.0 110.579 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -22.01 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.792 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.56 -34.09 72.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.014 0.435 . . . . 10.0 110.884 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 59' ' ' TYR . . . . . 0.528 ' HE1' ' HD2' ' D' ' 48' ' ' ARG . 69.7 m-85 -118.27 6.95 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.269 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.09 39.75 22.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.274 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 61' ' ' ILE . . . . . 0.435 HG12 ' CE2' ' D' ' 45' ' ' PHE . 53.1 mt -68.7 124.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -107.26 -166.13 1.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.288 0.566 . . . . 10.0 112.291 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.44 ' HB2' ' HG3' ' D' ' 1' ' ' MET . 80.7 tttt -74.28 153.43 39.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.382 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.43 6.26 5.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 28.2 m -68.07 146.92 53.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 10.0 110.466 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -112.08 111.55 22.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.155 0.502 . . . . 10.0 111.713 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 67' ' ' LEU . . . . . 0.477 HD22 HD11 ' D' ' 50' ' ' LEU . 69.8 mt -91.7 136.16 33.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.294 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -99.61 112.28 24.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.143 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 43' ' ' LEU . 1.4 tt -96.58 96.07 8.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.845 0.355 . . . . 10.0 110.527 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.535 ' HA ' HD21 ' D' ' 8' ' ' LEU . 31.2 m -91.47 175.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.416 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 71' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' D' ' 74' ' ' ARG . 32.2 tp -84.01 137.03 33.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.987 0.422 . . . . 10.0 111.873 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 72' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' D' ' 42' ' ' ARG . 26.0 ttp85 -116.61 -17.47 10.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.04 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 73' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' D' ' 73' ' ' LEU . 0.3 OUTLIER -74.23 -67.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.868 -179.215 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 74' ' ' ARG . . . . . 0.557 ' HB2' HD21 ' D' ' 71' ' ' LEU . 59.7 mtm180 -76.29 81.29 3.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.262 0.553 . . . . 10.0 111.438 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.98 -80.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.155 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.563 ' HA2' ' HZ3' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.353 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.916 0.389 . . . . 10.0 110.565 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -88.86 120.67 30.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.15 152.95 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.116 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.415 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 24.4 m-85 -112.52 113.48 25.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 10.0 111.424 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' E' ' 13' ' ' ILE . 46.5 t -101.64 119.04 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.691 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' E' ' 12' ' ' THR . 95.7 mttt -115.03 133.51 55.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.777 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.0 -170.2 2.36 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.489 HD22 HG12 ' E' ' 70' ' ' VAL . 0.7 OUTLIER -95.32 0.83 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.17 0.509 . . . . 10.0 110.152 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -8.31 36.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.45 -1.39 55.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.21 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.478 ' HZ1' ' C ' ' B' ' 76' ' ' GLY . 0.1 OUTLIER -80.29 152.49 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.753 0.311 . . . . 10.0 110.581 -179.636 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 12' ' ' THR . . . . . 0.409 HG23 ' HG2' ' E' ' 6' ' ' LYS . 21.9 m -139.54 130.0 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.167 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' E' ' 5' ' ' VAL . 8.1 tt -124.15 141.53 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.774 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -100.09 134.1 43.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.953 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' LEU . . . . . 0.61 HD11 HG12 ' E' ' 30' ' ' ILE . 75.4 mt -128.71 139.03 52.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -101.39 110.69 22.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.919 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.425 HG11 HG22 ' E' ' 26' ' ' VAL . 14.7 m -140.54 179.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.582 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 65.1 mm-40 -110.1 152.23 42.98 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.27 -28.69 87.37 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.424 2.082 . . . . 10.0 112.176 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -83.19 -4.67 58.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.178 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.5 OUTLIER -69.01 150.81 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.843 0.354 . . . . 10.0 110.528 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.7 p -91.6 161.16 15.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.596 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -58.3 -45.1 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.87 -36.27 78.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.795 0.331 . . . . 10.0 110.718 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.35 -39.22 93.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.14 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.542 HG21 HD11 ' E' ' 56' ' ' LEU . 67.9 t -72.14 -35.85 54.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.926 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.29 -37.07 71.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.833 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.63 99.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.291 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -65.87 -33.81 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.427 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ILE . . . . . 0.61 HG12 HD11 ' E' ' 15' ' ' LEU . 51.8 mt -66.37 -41.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.504 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.73 -26.8 61.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.517 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -24.26 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -105.83 -56.62 2.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.792 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -78.54 -48.49 15.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.906 0.384 . . . . 10.0 111.423 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.66 -9.86 30.2 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.907 -0.663 . . . . 10.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.54 124.38 88.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.189 -0.301 . . . . 10.0 110.189 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.427 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.0 Cg_exo -60.23 140.2 90.92 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.767 2.311 . . . . 10.0 111.668 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.22 -32.22 79.55 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.316 2.677 . . . . 10.0 112.534 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.52 -23.71 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.44 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' GLN . . . . . 0.667 ' HG3' ' HG ' ' E' ' 73' ' ' LEU . 11.8 tt0 -97.77 -3.2 39.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.531 . . . . 10.0 110.185 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 41' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 80.1 mt-30 -90.6 124.69 35.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.429 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 10.3 ttm-85 -125.23 102.64 7.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.444 ' HB3' HD12 ' E' ' 50' ' ' LEU . 13.8 mt -81.91 129.19 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.221 0.534 . . . . 10.0 111.931 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.71 124.99 70.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.596 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.629 ' HB3' HD21 ' E' ' 50' ' ' LEU . 51.0 t80 -126.08 118.91 26.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.993 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.38 34.74 15.43 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.686 0.616 . . . . 10.0 111.663 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.59 11.22 85.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.382 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.563 ' HZ3' ' HA2' ' D' ' 76' ' ' GLY . 64.1 tttm -119.97 134.11 55.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.826 0.313 . . . . 10.0 111.323 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.53 131.49 43.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.519 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.3 mt -88.47 146.23 25.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.039 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -82.39 153.26 25.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.026 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.91 -43.44 62.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.033 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.21 53.02 2.49 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 10.0 114.625 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 54' ' ' ARG . . . . . 0.429 ' HB2' ' OH ' ' E' ' 59' ' ' TYR . 62.1 mtp180 -140.1 168.94 18.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.963 0.381 . . . . 10.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 66.7 p -101.29 173.68 6.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.825 0.345 . . . . 10.0 111.603 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 56' ' ' LEU . . . . . 0.542 HD11 HG21 ' E' ' 26' ' ' VAL . 8.1 mp -70.63 -34.16 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.71 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -69.62 -19.95 63.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.273 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.32 -23.31 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.912 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HB2' HG13 ' E' ' 61' ' ' ILE . 22.4 m-85 -113.34 16.89 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 p30 47.51 36.36 5.13 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 61' ' ' ILE . . . . . 0.45 HG13 ' HB2' ' E' ' 59' ' ' TYR . 80.9 mt -67.59 121.62 17.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.086 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -96.07 -174.59 3.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.75 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 13.1 ttpp -69.77 131.28 44.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.436 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 42.6 mt-10 61.37 46.46 7.66 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.19 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -82.76 162.87 21.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.498 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -95.51 97.6 9.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 10.0 111.207 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.67 120.89 39.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.761 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 68' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' E' ' 6' ' ' LYS . 85.0 m-70 -91.78 138.32 31.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.809 0.337 . . . . 10.0 110.719 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.22 121.28 37.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.489 HG12 HD22 ' E' ' 8' ' ' LEU . 28.3 m -126.74 -178.94 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.059 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.07 145.07 46.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.931 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 12.8 ttp180 -130.32 28.62 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.054 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 73' ' ' LEU . . . . . 0.667 ' HG ' ' HG3' ' E' ' 40' ' ' GLN . 53.8 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.032 0.444 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.3 123.88 47.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.721 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -111.51 167.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -111.86 144.39 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 10.0 111.274 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -124.5 117.49 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 42.7 tttm -111.81 137.26 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 10.0 112.349 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.2 p -88.32 -168.74 2.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.987 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -88.19 -20.59 25.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.034 0.445 . . . . 10.0 110.365 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -77.2 -27.74 53.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.433 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 121.46 2.1 10.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.723 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -79.31 130.27 35.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -125.75 115.73 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 10.0 110.842 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 pt -105.38 166.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.349 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -123.28 135.5 54.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.26 147.28 50.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.618 0.247 . . . . 10.0 111.568 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -87.07 126.69 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.96 164.26 28.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.084 0.469 . . . . 10.0 110.976 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 80.9 mm-40 -109.77 153.21 43.13 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.714 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.29 -26.11 80.67 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.61 2.207 . . . . 10.0 111.717 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -98.97 14.12 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.651 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 m-20 -77.1 133.83 38.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.837 0.351 . . . . 10.0 110.677 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -86.03 153.81 21.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.185 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.4 mm -59.19 -34.39 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 10.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.666 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 12.8 pt-20 -62.45 -35.02 77.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.439 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 8.0 t-20 -73.95 -36.58 64.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.33 -42.85 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.629 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.23 -41.19 88.12 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.633 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.752 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -64.99 -39.95 94.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 10.0 110.435 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.02 -37.47 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.997 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -71.94 -28.83 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.97 -37.24 69.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.566 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -95.74 -42.86 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -97.17 -34.68 11.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.12 60.8 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.223 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.82 119.65 62.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 10.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 19.3 Cg_endo -59.86 132.24 43.99 Favored 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 123.131 2.554 . . . . 10.0 112.762 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.2 Cg_exo -57.88 -32.06 94.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.218 2.612 . . . . 10.0 112.651 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.2 -24.26 66.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.548 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 6.2 mt-30 -103.29 4.63 36.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 10.0 110.852 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 71.8 mt-30 -89.48 116.84 27.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -119.04 74.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.04 122.27 19.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.937 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.698 HD12 HG21 ' B' ' 70' ' ' VAL . 31.8 mt -123.21 128.41 74.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.663 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' HD21 ' B' ' 50' ' ' LEU . 58.7 t80 -120.58 135.42 55.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.544 ' HA ' ' NE2' ' D' ' 68' ' ' HIS . . . 68.52 -71.03 0.12 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.768 0.667 . . . . 10.0 111.015 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.55 15.95 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.402 -0.679 . . . . 10.0 111.402 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -130.45 154.9 47.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 10.0 110.691 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' B' ' 44' ' ' ILE . 24.8 tt0 -81.56 138.96 35.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.473 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.423 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.5 mt -85.15 122.46 29.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.073 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -88.04 139.42 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.666 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 4.9 m-20 -57.95 -23.81 55.27 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.11 -2.85 87.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.266 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -104.32 163.98 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.56 -0.376 . . . . 10.0 110.997 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 7.9 p -105.99 173.12 6.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.648 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.44 -39.25 93.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.08 0.467 . . . . 10.0 111.04 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.3 m -75.51 -5.88 47.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -73.52 -31.44 63.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.0 13.69 25.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.159 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 58.79 49.04 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.457 -0.792 . . . . 10.0 112.065 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -91.13 113.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.13 -162.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.888 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -63.26 146.5 53.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.026 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 58.23 45.91 16.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.0 m -108.98 124.89 51.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.848 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -96.36 118.12 32.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.671 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.01 141.88 33.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.548 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 8.7 m-70 -100.53 128.5 46.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.229 0.538 . . . . 10.0 112.07 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -89.51 97.61 11.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.163 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.698 HG21 HD12 ' B' ' 44' ' ' ILE . 84.6 t -77.97 138.87 19.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.611 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.74 130.16 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -88.94 120.9 30.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.475 ' HG ' ' H ' ' B' ' 75' ' ' GLY . 26.4 tp -87.15 139.21 30.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.874 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 25.34 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.127 0.489 . . . . 10.0 111.023 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.844 ' HA2' HG21 ' E' ' 9' ' ' THR . . . 101.07 -169.63 21.0 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.985 ' HA2' ' HZ2' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.259 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.771 0.32 . . . . 10.0 110.731 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -107.23 123.75 48.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.175 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.8 162.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.162 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -110.79 123.17 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.968 0.413 . . . . 10.0 110.403 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.664 ' HB ' HG13 ' D' ' 13' ' ' ILE . 96.5 t -108.73 118.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.55 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -97.63 115.46 27.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.974 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -83.35 171.47 13.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.715 0.293 . . . . 10.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' D' ' 70' ' ' VAL . 80.5 mt -66.83 -21.69 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.103 0.477 . . . . 10.0 111.083 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -9.25 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.764 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.99 21.09 47.59 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.457 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -99.34 134.21 42.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 0.4 OUTLIER -108.69 115.32 29.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.72 0.295 . . . . 10.0 110.996 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.664 HG13 ' HB ' ' D' ' 5' ' ' VAL . 6.2 pt -108.62 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.269 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.85 140.32 39.86 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 15' ' ' LEU . 23.1 mt -128.46 151.3 49.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.54 0.21 . . . . 10.0 111.509 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.93 112.96 26.03 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.032 -1.099 . . . . 10.0 108.032 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.91 178.16 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -123.1 152.1 62.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.7 -31.63 80.7 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.59 2.194 . . . . 10.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -100.81 24.17 9.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.419 . . . . 10.0 111.745 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.58 156.87 24.97 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -102.0 151.32 22.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.906 0.384 . . . . 10.0 111.876 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 43.5 mm -58.27 -39.37 73.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.989 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.91 -34.92 73.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.281 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.02 -34.93 66.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.999 0.428 . . . . 10.0 109.964 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 22' ' ' THR . 56.4 t -61.78 -43.53 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.733 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 93.4 mttt -59.95 -38.29 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.94 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.26 82.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -68.07 -36.02 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.726 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -68.25 -32.42 55.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.319 0.581 . . . . 10.0 109.454 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.6 tt0 -74.12 -33.93 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.247 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -72.66 -37.53 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.274 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -77.08 -71.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.37 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -79.04 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.08 0.467 . . . . 10.0 111.224 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 124.71 19.33 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.195 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 38.2 mt -80.42 127.34 76.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.479 -0.193 . . . . 10.0 110.479 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 36' ' ' ILE . 38.7 Cg_exo -59.04 123.55 13.72 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.868 2.378 . . . . 10.0 111.794 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.503 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 52.9 Cg_exo -57.82 -29.19 85.2 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.333 2.688 . . . . 10.0 112.489 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.1 -27.11 67.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.459 . . . . 10.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -95.91 -7.83 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 78.8 mt-30 -79.72 125.51 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.695 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.459 ' HB3' HG23 ' D' ' 70' ' ' VAL . 9.3 ttp85 -122.83 90.83 3.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' D' ' 50' ' ' LEU . 42.8 mt -73.97 122.81 23.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 10.0 112.807 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' D' ' 68' ' ' HIS . 21.7 mm -114.72 141.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -133.15 101.98 5.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.719 0.295 . . . . 10.0 110.535 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 58.01 52.53 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.462 -0.79 . . . . 10.0 112.307 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 -49.21 3.23 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.747 -0.74 . . . . 10.0 113.742 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' HA ' ' B' ' 70' ' ' VAL . 56.1 mtt180 -84.26 140.85 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.998 0.399 . . . . 10.0 111.724 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' GLN . . . . . 0.457 ' HG3' HD13 ' D' ' 44' ' ' ILE . 12.1 tt0 -76.23 150.3 37.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.464 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' D' ' 43' ' ' LEU . 86.3 mt -94.15 143.61 26.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.301 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.488 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 85.0 mt-10 -98.43 137.78 36.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.929 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 52' ' ' ASP . . . . . 0.523 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 4.3 m-20 -59.81 -42.04 92.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.27 39.05 2.61 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.439 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.488 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 39.1 mmt180 -134.54 156.6 48.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 39.9 p -93.6 170.66 9.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.292 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.88 -24.39 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.17 0.51 . . . . 10.0 110.427 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -22.73 42.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.182 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -58.65 -40.77 84.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.462 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -108.9 8.64 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.03 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.8 64.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 10.0 113.533 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -97.84 114.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.76 -1.2 . . . . 10.0 107.76 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -99.51 -151.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.583 ' HE3' ' HG3' ' D' ' 64' ' ' GLU . 12.8 tptt -86.23 143.72 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.807 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' HE3' ' D' ' 63' ' ' LYS . 36.2 mt-10 69.57 7.15 6.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.525 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.2 m -73.39 128.35 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.911 0.386 . . . . 10.0 110.1 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 88.6 m -92.95 130.28 38.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.559 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -96.8 143.28 27.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 68' ' ' HIS . . . . . 0.758 ' HB2' ' HB ' ' D' ' 44' ' ' ILE . 69.6 m-70 -102.39 139.45 37.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.442 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.9 141.7 50.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 10.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.569 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.4 m -134.5 154.86 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.345 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 36.3 tp -69.61 119.42 13.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 10.0 111.685 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -110.25 63.41 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.155 0.502 . . . . 10.0 111.186 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 mt -118.01 -85.65 0.64 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.555 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -135.29 97.14 3.63 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.898 0.38 . . . . 10.0 111.376 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.6 89.28 1.58 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.662 ' HA2' ' NZ ' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.132 0 C-N-CA 121.065 -0.588 . . . . 10.0 113.233 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.835 0.35 . . . . 10.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -93.44 120.42 33.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.378 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -103.59 162.04 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.938 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' E' ' 64' ' ' GLU . 67.1 m-85 -121.81 109.14 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.097 0.475 . . . . 10.0 111.275 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.75 128.66 48.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.657 ' HD2' HG23 ' E' ' 66' ' ' THR . 88.7 mttt -123.98 139.22 54.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.054 0.454 . . . . 10.0 111.229 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 7' ' ' THR . . . . . 0.503 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 0.9 OUTLIER -94.18 174.59 7.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 13.64 0.26 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 9' ' ' THR . . . . . 0.844 HG21 ' HA2' ' B' ' 75' ' ' GLY . 15.2 t -119.4 -4.11 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.492 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -11.16 60.43 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.615 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.985 ' HZ2' ' HA2' ' B' ' 76' ' ' GLY . 81.8 tttt -59.68 132.91 55.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.599 0.238 . . . . 10.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.03 127.61 49.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.505 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tp -121.98 143.54 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.294 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -98.74 135.47 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' E' ' 29' ' ' LYS . 77.2 mt -136.28 130.07 32.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.637 0.256 . . . . 10.0 111.535 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -90.37 103.71 16.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.725 HG11 HG22 ' E' ' 26' ' ' VAL . 2.6 t -132.38 142.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.343 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.6 146.49 50.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.99 -20.46 67.58 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.894 2.396 . . . . 10.0 113.465 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -10.18 59.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.94 155.25 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.894 0.378 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.55 165.26 13.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.059 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' E' ' 59' ' ' TYR . 44.0 mm -58.99 -39.43 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.544 0.212 . . . . 10.0 111.386 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.97 -36.4 77.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 10.0 110.679 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.89 -38.22 88.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.255 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.725 HG22 HG11 ' E' ' 17' ' ' VAL . 21.5 t -67.99 -35.84 73.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.38 -36.22 83.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.29 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.06 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.574 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.586 ' HD2' HG22 ' E' ' 17' ' ' VAL . 40.9 mttm -67.4 -36.79 81.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.693 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.66 -33.23 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.476 0.655 . . . . 10.0 109.321 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.44 -16.22 62.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.809 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -90.36 -49.67 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.901 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.1 -47.62 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 10.0 111.5 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.2 7.82 34.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.695 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.38 122.67 75.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 110.351 -0.24 . . . . 10.0 110.351 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.7 Cg_exo -60.87 145.15 99.45 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.797 2.331 . . . . 10.0 111.517 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 53.2 Cg_exo -54.78 -30.56 68.03 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.086 2.524 . . . . 10.0 112.724 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.45 -24.43 63.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.023 0.44 . . . . 10.0 110.932 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -95.66 -6.14 40.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.371 0.605 . . . . 10.0 109.554 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -93.27 122.68 35.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.784 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 31.0 ttm180 -130.67 104.17 7.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.74 136.63 37.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.128 0.489 . . . . 10.0 111.753 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -126.27 120.42 56.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.677 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -111.3 108.56 18.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.551 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.28 37.43 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.858 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.59 2.18 87.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.842 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.662 ' NZ ' ' HA2' ' D' ' 76' ' ' GLY . 16.6 mtmm -107.65 115.88 30.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.754 0.311 . . . . 10.0 110.492 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -68.8 123.29 20.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.733 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.47 138.67 43.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.756 0.312 . . . . 10.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -88.47 171.47 10.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.637 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -87.48 -49.65 7.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.818 0.342 . . . . 10.0 111.725 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.68 51.17 4.53 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.22 -0.514 . . . . 10.0 113.57 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -145.07 166.37 25.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.0 p -107.39 178.72 4.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.697 0.284 . . . . 10.0 110.916 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.22 -29.85 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 10.0 110.675 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -69.57 -19.51 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.169 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.0 OUTLIER -61.54 -29.43 70.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.658 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HE2' HD11 ' E' ' 23' ' ' ILE . 1.4 m-85 -116.59 20.25 14.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.552 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 p30 46.09 45.16 12.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.202 -0.908 . . . . 10.0 113.413 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -69.94 113.7 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.978 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -97.43 -160.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.821 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -81.52 147.44 29.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.527 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' E' ' 4' ' ' PHE . 3.4 mp0 65.14 29.49 11.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.856 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -82.09 142.9 31.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 66' ' ' THR . . . . . 0.657 HG23 ' HD2' ' E' ' 6' ' ' LYS . 23.7 m -103.53 113.44 26.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.66 127.43 48.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.937 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -89.54 130.15 35.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.681 0.277 . . . . 10.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -116.41 120.92 40.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.688 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.26 -175.32 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -91.17 132.14 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 10.0 111.339 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 50.6 ttt180 -114.15 130.55 56.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.91 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.888 0.375 . . . . 10.0 111.124 -179.661 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.771 0.319 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.59 104.54 15.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.464 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.411 HD12 HD13 ' B' ' 67' ' ' LEU . 37.2 pt -87.28 163.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -110.47 144.56 39.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.869 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.3 t -127.72 121.86 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 9.1 ttmm -112.92 136.59 52.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.909 0.385 . . . . 10.0 111.431 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -86.36 -165.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.091 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.66 -37.27 56.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 10.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.54 32.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.088 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.74 -20.11 0.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.43 -0.89 . . . . 10.0 112.673 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -48.96 122.54 5.9 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.822 0.449 . . . . 10.0 111.662 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.9 m -119.56 113.18 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.534 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -101.92 158.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.926 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.49 141.91 41.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.532 HD11 HG12 ' B' ' 30' ' ' ILE . 32.7 mt -137.09 121.04 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -82.35 103.45 11.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -133.16 167.52 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.124 0.487 . . . . 10.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 81.4 mm-40 -107.68 158.79 32.48 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.35 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.03 -28.51 86.23 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.191 1.927 . . . . 10.0 111.492 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -3.74 48.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.815 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 124.8 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 10.0 110.386 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -76.31 148.15 37.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.945 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.4 mm -53.15 -45.72 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.607 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.771 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 6.3 pt-20 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -75.24 -39.18 60.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 41.3 t -64.95 -35.01 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.2 mttt -59.35 -42.67 92.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.812 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.77 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.329 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -66.61 -40.84 89.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.451 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.532 HG12 HD11 ' B' ' 15' ' ' LEU . 68.9 mt -67.8 -36.3 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.633 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -63.16 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.56 -37.18 71.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -97.37 -40.78 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -91.19 -22.93 20.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.04 83.99 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.82 -0.705 . . . . 10.0 113.411 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -92.97 119.77 67.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.4 Cg_endo -60.61 140.24 90.07 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.983 2.456 . . . . 10.0 112.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.35 -27.83 86.0 Favored 'Trans proline' 0 N--CA 1.477 0.531 0 C-N-CA 123.538 2.825 . . . . 10.0 113.724 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.468 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 4.5 p-10 -69.41 -17.17 63.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.704 0.288 . . . . 10.0 111.662 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -112.35 13.41 20.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.056 0.455 . . . . 10.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -103.14 121.53 42.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 36.2 ttm180 -120.91 112.07 18.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 mt -99.93 116.09 31.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.768 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.74 112.66 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.357 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' D' ' 46' ' ' ALA . 62.2 t80 -110.84 120.06 41.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.778 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.41 16.8 7.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.387 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.78 10.96 48.41 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 48' ' ' ARG . 55.5 mtt180 -119.7 134.14 55.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.641 0.258 . . . . 10.0 110.757 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -80.78 119.37 23.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -75.43 125.84 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.226 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -79.63 143.1 34.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.269 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.771 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 5.5 m-20 -55.07 -39.71 69.55 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.41 15.9 32.53 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.802 -0.713 . . . . 10.0 114.444 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.2 mmt180 -111.8 158.42 19.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.303 0.552 . . . . 10.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 173.97 6.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.07 -40.84 78.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 10.0 110.71 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -17.56 63.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.316 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.1 -36.25 69.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.248 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -94.89 5.43 51.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.5 45.56 6.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.501 0.667 . . . . 10.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.81 103.4 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.426 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -92.09 178.81 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.377 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -64.94 161.62 18.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.025 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.3 31.18 13.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.421 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -116.09 141.45 48.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.824 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.7 m -111.69 140.45 46.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.199 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.411 HD13 HD12 ' B' ' 3' ' ' ILE . 8.1 mp -105.65 146.85 29.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' D' ' 46' ' ' ALA . 30.0 m170 -108.37 127.95 54.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.939 0.4 . . . . 10.0 111.545 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -107.11 125.09 50.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.761 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' B' ' 42' ' ' ARG . 19.8 m -125.85 166.5 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.063 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mp -72.42 115.53 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -96.85 99.27 10.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.446 179.528 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -122.97 144.66 49.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.088 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 106.41 11.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.488 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.55 96.42 0.69 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.646 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.603 ' HA2' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.837 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.89 0.376 . . . . 10.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.495 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 80.7 mt-30 -103.63 140.88 36.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.293 -0.262 . . . . 10.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.59 164.17 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -122.31 123.88 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.396 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.38 133.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.756 0.312 . . . . 10.0 110.98 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -103.92 103.61 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.105 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.3 p -75.52 172.55 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.472 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.16 -25.97 66.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.939 0.4 . . . . 10.0 110.934 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -13.06 60.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.495 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.17 8.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.59 -0.814 . . . . 10.0 111.636 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -113.2 113.65 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -85.04 103.9 14.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.807 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 pt -104.48 150.46 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.76 129.69 55.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 30' ' ' ILE . 70.6 mt -118.36 152.24 36.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.9 110.36 22.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.101 -1.074 . . . . 10.0 108.101 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.03 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.412 0.625 . . . . 10.0 111.734 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 0.7 OUTLIER -143.32 159.82 53.92 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.201 -0.909 . . . . 10.0 108.676 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.31 -24.0 77.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.122 1.881 . . . . 10.0 111.434 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -1.83 56.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.3 OUTLIER -72.77 144.7 47.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.94 153.19 17.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.406 HD12 HD13 ' D' ' 50' ' ' LEU . 49.2 mm -55.32 -43.07 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 10.0 111.032 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.79 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.496 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -75.89 -39.28 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.087 0.47 . . . . 10.0 110.232 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' VAL . . . . . 0.551 HG21 HD21 ' D' ' 56' ' ' LEU . 99.5 t -61.95 -41.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.857 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.76 -34.92 75.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.484 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.75 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.872 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.68 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.381 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ILE . . . . . 0.564 HG12 HD11 ' D' ' 15' ' ' LEU . 78.6 mt -68.22 -40.05 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.06 -26.97 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.264 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -74.15 -19.63 60.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -104.47 -57.35 2.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -84.32 -54.09 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 10.0 110.907 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.75 3.18 12.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 10.0 112.995 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -74.67 120.3 80.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.724 0.262 . . . . 10.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 46.7 Cg_exo -58.32 133.75 57.02 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.757 2.304 . . . . 10.0 111.941 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 48.7 Cg_exo -57.2 -26.69 71.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.259 2.639 . . . . 10.0 112.696 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.49 -28.59 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.557 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -101.2 9.77 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -98.72 136.76 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.868 0.366 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -133.21 91.14 2.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' D' ' 50' ' ' LEU . 24.8 mt -75.76 126.44 31.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.408 -0.815 . . . . 10.0 113.035 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' D' ' 49' ' ' GLN . 39.8 mm -119.06 127.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.786 ' HB3' HD21 ' D' ' 50' ' ' LEU . 83.7 t80 -130.34 126.71 37.83 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 46' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' B' ' 45' ' ' PHE . . . 71.43 -37.5 0.39 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.924 0.765 . . . . 10.0 112.841 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.61 -32.23 0.23 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.162 -0.542 . . . . 10.0 112.188 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' D' ' 48' ' ' ARG . 50.4 mtt180 -95.99 171.27 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 10.0 111.278 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 49' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' D' ' 44' ' ' ILE . 7.2 tt0 -85.37 149.08 25.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.435 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' D' ' 45' ' ' PHE . 78.2 mt -94.2 126.83 39.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.583 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.6 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.38 -31.56 61.9 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.735 0.643 . . . . 10.0 112.735 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.84 32.09 4.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 10.0 114.248 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -133.04 158.45 42.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.481 0.64 . . . . 10.0 111.56 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.01 162.35 14.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.007 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.551 HD21 HG21 ' D' ' 26' ' ' VAL . 39.4 mt -65.42 -39.62 92.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.825 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -62.32 -27.07 68.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 10.0 111.559 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.95 -29.2 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.203 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -99.2 8.11 45.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.747 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 57.3 t30 66.05 29.22 10.14 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.244 0.545 . . . . 10.0 111.129 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.37 123.38 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -118.44 -158.49 0.72 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.294 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 44.3 tttt -79.51 135.54 36.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 72.55 18.57 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -74.41 139.02 43.73 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -95.36 126.67 40.83 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 67' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' D' ' 43' ' ' LEU . 94.6 mt -109.11 130.04 55.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.566 -0.901 . . . . 10.0 108.566 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -99.96 136.72 39.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.812 0.339 . . . . 10.0 111.481 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 69' ' ' LEU . 14.3 mt -108.24 118.95 38.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.0 173.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.964 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.25 134.23 47.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.569 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.54 69.37 1.23 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.46 0.648 . . . . 10.0 109.969 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 tp -155.95 145.46 20.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.795 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -70.08 -73.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 10.0 109.833 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.35 -167.63 34.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.919 -0.873 . . . . 10.0 110.919 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' E' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 121.112 -0.565 . . . . 10.0 112.99 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.146 0.498 . . . . 10.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -84.98 127.45 34.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.786 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.48 167.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.199 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.78 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 10.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.23 120.94 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.702 ' HG2' HG23 ' E' ' 12' ' ' THR . 64.3 mttt -112.79 147.14 37.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.207 0.527 . . . . 10.0 111.583 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -116.13 163.42 15.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.525 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -71.2 -15.37 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 10.0 111.507 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -17.69 38.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.977 0.417 . . . . 10.0 111.157 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.0 22.18 9.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.132 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.603 ' NZ ' ' HA2' ' B' ' 76' ' ' GLY . 0.0 OUTLIER -103.46 112.13 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 12' ' ' THR . . . . . 0.702 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.8 m -103.33 130.9 50.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -126.61 136.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 10.0 110.903 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -101.75 133.04 47.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.448 . . . . 10.0 109.978 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -138.6 143.37 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.808 0.337 . . . . 10.0 110.699 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -102.78 111.28 23.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.551 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.706 HG11 HG22 ' E' ' 26' ' ' VAL . 0.3 OUTLIER -126.78 179.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 18' ' ' GLU . . . . . 0.502 ' H ' HG12 ' E' ' 17' ' ' VAL . 80.5 mm-40 -110.4 147.95 37.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 32.7 Cg_exo -60.49 -29.81 89.43 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.483 2.122 . . . . 10.0 111.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 11.03 15.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.918 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.4 OUTLIER -88.32 132.13 34.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 10.0 111.544 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.446 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.2 OUTLIER -74.02 149.96 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.637 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 29.2 mm -52.19 -44.38 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.759 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 24' ' ' GLU . . . . . 0.896 ' HG3' ' HB3' ' E' ' 52' ' ' ASP . 24.2 mt-10 -60.74 -31.25 70.57 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -78.76 -36.24 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 10.0 109.917 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.706 HG22 HG11 ' E' ' 17' ' ' VAL . 60.2 t -65.66 -41.41 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 27' ' ' LYS . . . . . 0.546 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 87.8 mttt -60.11 -37.22 79.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.73 96.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.994 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -63.97 -39.14 93.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.771 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.91 -41.87 94.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.941 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.0 -39.38 83.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.792 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.45 -42.28 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.75 -49.74 56.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.75 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.25 -103.0 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.281 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.0 28.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.813 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -108.84 117.18 54.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.8 Cg_exo -60.07 144.02 99.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.873 2.382 . . . . 10.0 112.1 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.546 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 76.1 Cg_exo -53.25 -27.67 39.15 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.398 2.732 . . . . 10.0 112.321 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.77 -27.0 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -102.05 0.5 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.281 0.563 . . . . 10.0 110.286 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -96.27 121.92 38.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.459 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 21.2 ttm180 -119.06 101.8 8.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.14 124.05 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.023 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.09 129.56 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 10.0 109.732 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' E' ' 50' ' ' LEU . 69.9 t80 -129.69 128.44 42.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 46' ' ' ALA . . . . . 0.449 ' O ' ' HA3' ' D' ' 76' ' ' GLY . . . 60.22 22.57 11.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.584 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.44 -6.52 82.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.936 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.403 ' HZ2' ' HA3' ' D' ' 76' ' ' GLY . 5.5 mptt -107.23 144.86 33.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.651 -0.323 . . . . 10.0 110.992 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.96 138.09 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 10.0 111.102 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.7 mt -93.06 119.85 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.558 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -67.39 129.91 41.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.955 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 52' ' ' ASP . . . . . 0.896 ' HB3' ' HG3' ' E' ' 24' ' ' GLU . 1.2 m-20 -54.64 -32.55 59.19 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.013 0.745 . . . . 10.0 113.013 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 6.09 70.2 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 114.646 0.618 . . . . 10.0 114.646 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 54' ' ' ARG . . . . . 0.445 ' O ' HG12 ' E' ' 23' ' ' ILE . 67.8 mtp180 -112.44 164.71 12.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.692 0.746 . . . . 10.0 110.654 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 68.1 p -101.86 178.39 4.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.557 0.218 . . . . 10.0 111.175 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.01 -36.1 81.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.12 0.486 . . . . 10.0 111.021 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -69.07 -19.03 64.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.48 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' E' ' 55' ' ' THR . 3.0 m-20 -66.53 -24.67 66.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 10.0 110.596 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 32.4 m-85 -118.3 20.64 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.001 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p30 48.04 38.19 9.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.944 -1.025 . . . . 10.0 113.745 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.25 115.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.494 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -98.83 -164.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.745 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 38.6 ttpt -71.74 148.52 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.517 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 47.1 mt-10 65.84 24.11 11.35 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 52.1 m -79.23 141.9 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.644 0.259 . . . . 10.0 110.601 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -100.37 107.7 19.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.905 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.39 143.16 29.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -103.0 123.9 47.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 10.0 110.932 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -108.42 120.91 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.601 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.459 HG12 HD22 ' E' ' 8' ' ' LEU . 27.2 m -121.63 176.56 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.832 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.54 141.44 44.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 58.0 ttt180 -124.35 126.04 45.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.045 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.181 179.592 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.24 111.29 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.718 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 pt -107.38 151.6 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.743 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -115.37 135.49 54.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.25 126.75 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 2.2 tttm -108.05 122.73 47.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.571 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 175.03 8.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.638 0.256 . . . . 10.0 111.522 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.43 ' H ' HD23 ' B' ' 8' ' ' LEU . 1.7 pt? -58.25 -20.55 42.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -38.43 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 10.0 110.66 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.03 -9.63 5.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.347 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.1 ttm180 -62.0 130.64 46.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.63 0.252 . . . . 10.0 110.544 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.21 125.01 51.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 pt -118.91 155.96 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.813 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.76 143.21 39.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.192 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -138.76 157.72 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.912 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.88 113.53 26.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 168.48 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 10.0 111.085 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.62 152.91 44.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.4 -29.8 85.66 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.496 2.131 . . . . 10.0 111.202 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 p -79.09 -0.36 31.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.114 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.88 138.71 36.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 10.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.73 157.37 21.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.53 -36.12 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.62 -25.5 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.238 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -76.35 -39.29 54.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.43 -39.79 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.743 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -57.33 -43.46 83.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.979 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.47 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.288 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.18 -41.79 94.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.465 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -68.67 -34.49 65.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.33 0.586 . . . . 10.0 109.586 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.521 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.0 tt0 -68.22 -32.32 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.248 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.8 -39.66 23.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.024 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -78.09 -63.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.15 -40.3 19.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.049 0.388 . . . . 10.0 112.049 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.57 40.23 3.46 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.181 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 65.3 mt -106.2 126.17 31.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 8.0 Cg_endo -50.81 124.72 14.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.484 2.79 . . . . 10.0 112.312 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.25 -29.96 87.34 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.986 2.457 . . . . 10.0 112.395 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -75.86 -8.04 55.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.628 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -118.73 7.34 11.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.497 . . . . 10.0 110.466 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.8 mt-30 -87.6 106.87 18.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.457 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.422 ' HB3' HG23 ' B' ' 70' ' ' VAL . 5.2 ttt180 -101.48 89.75 3.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.68 116.38 22.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.548 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -111.68 129.41 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.893 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.71 ' HB3' HD21 ' B' ' 50' ' ' LEU . 46.3 t80 -126.29 134.76 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.529 ' HA ' ' NE2' ' D' ' 68' ' ' HIS . . . 70.22 -66.14 0.29 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.855 0.722 . . . . 10.0 110.934 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.73 10.13 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.557 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -139.25 163.84 31.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.313 -0.255 . . . . 10.0 110.313 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.33 155.1 22.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 10.0 110.251 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.9 mt -99.21 142.0 31.26 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -80.0 145.14 32.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.01 -45.12 91.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.43 48.04 3.96 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.015 -0.612 . . . . 10.0 113.567 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -139.72 155.71 47.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.7 176.42 5.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.79 0.328 . . . . 10.0 110.595 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 66.0 mt -71.72 -37.71 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.058 0.456 . . . . 10.0 110.304 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -25.92 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.187 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -66.86 -21.25 66.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.711 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -115.05 13.19 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.751 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.23 29.07 11.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.34 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 78.0 mt -75.19 130.57 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.12 -164.84 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 10.0 111.749 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -74.13 139.26 44.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.977 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 66.14 14.98 9.91 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -77.86 121.2 23.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -86.94 126.62 34.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.43 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.25 156.84 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.442 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 79.8 m-70 -112.73 135.9 52.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.148 0.499 . . . . 10.0 111.907 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -114.47 104.0 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.246 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' B' ' 42' ' ' ARG . 17.4 m -102.39 173.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.39 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.17 146.43 24.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.841 0.353 . . . . 10.0 111.235 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -118.01 106.8 13.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.601 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.79 144.57 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.53 150.55 47.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.19 -64.9 0.48 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.568 ' HA2' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.129 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.949 0.404 . . . . 10.0 110.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.422 ' HB3' HG22 ' D' ' 14' ' ' THR . 39.8 mt-30 -95.61 114.61 26.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.726 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -98.53 152.59 4.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.589 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' D' ' 66' ' ' THR . 98.3 m-85 -112.82 126.07 55.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.37 . . . . 10.0 110.876 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' D' ' 13' ' ' ILE . 46.7 t -118.52 131.62 70.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.341 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -95.59 112.34 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -71.14 178.83 3.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.989 0.423 . . . . 10.0 111.528 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.86 -21.93 63.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 10.0 110.155 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -8.13 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.7 11.25 66.13 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.903 -0.665 . . . . 10.0 111.847 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -82.81 143.48 30.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 10.0 110.275 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -100.87 110.56 22.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.465 ' CG1' ' HB ' ' D' ' 5' ' ' VAL . 47.6 pt -102.05 142.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.724 0.297 . . . . 10.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' THR . . . . . 0.422 HG22 ' HB3' ' D' ' 2' ' ' GLN . 2.3 m -109.38 127.22 54.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.136 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' D' ' 29' ' ' LYS . 69.6 mt -128.65 132.81 48.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.673 0.273 . . . . 10.0 111.691 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.6 112.48 24.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -134.65 169.87 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 10.0 111.867 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -105.03 152.63 39.69 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.01 -21.52 73.23 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.295 1.997 . . . . 10.0 111.687 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -90.59 6.2 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.703 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.74 137.12 37.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 10.0 110.868 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' THR . . . . . 0.476 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -86.46 165.33 16.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.817 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.581 HG23 ' HE3' ' D' ' 27' ' ' LYS . 0.4 OUTLIER -58.69 -33.1 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.857 0.36 . . . . 10.0 111.336 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLU . . . . . 0.476 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 7.6 pt-20 -62.5 -35.47 79.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.126 0.488 . . . . 10.0 110.517 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -67.92 -37.13 81.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.43 -39.29 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' D' ' 23' ' ' ILE . 98.7 mttt -56.89 -45.44 82.59 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.381 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.74 84.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD22 ' D' ' 15' ' ' LEU . 13.6 mmtt -65.6 -41.7 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.364 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.15 -35.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.213 0.53 . . . . 10.0 110.556 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 59.6 tt0 -73.34 -30.82 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.93 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.45 -24.51 59.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 10.0 112.259 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -104.76 -59.61 1.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' GLU . . . . . 0.401 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.4 tp10 -84.59 -23.08 29.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 10.0 111.726 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 80.33 25.24 57.55 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.562 -0.827 . . . . 10.0 113.129 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' D' ' 34' ' ' GLU . 73.8 mt -85.22 121.36 73.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.6 Cg_exo -56.11 126.13 21.37 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.859 2.372 . . . . 10.0 111.844 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.475 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 50.0 Cg_exo -55.85 -25.47 52.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.184 2.59 . . . . 10.0 112.647 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.62 -37.17 82.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -97.5 5.46 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.052 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' GLN . . . . . 0.526 ' OE1' ' HA ' ' D' ' 27' ' ' LYS . 55.5 mt-30 -84.3 112.96 20.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.5 ttp85 -128.72 108.55 10.56 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 67' ' ' LEU . 82.3 mt -97.36 126.94 42.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mm -111.47 128.04 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 10.0 108.801 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.624 ' HB2' HD21 ' D' ' 50' ' ' LEU . 22.2 t80 -106.76 88.57 2.78 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.47 49.5 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.599 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.1 -34.16 5.27 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.828 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.442 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.197 0.498 . . . . 10.0 110.475 -179.52 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 49' ' ' GLN . . . . . 0.407 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 23.9 tt0 -80.49 141.83 34.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' D' ' 45' ' ' PHE . 44.8 mt -87.4 130.54 34.62 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.334 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 77.4 mt-10 -77.32 164.54 25.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.056 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 52' ' ' ASP . . . . . 0.451 ' HA ' ' CG2' ' D' ' 23' ' ' ILE . 9.1 t70 -76.43 -44.3 36.46 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.54 47.59 1.91 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.666 -0.778 . . . . 10.0 114.25 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.5 mmt180 -129.8 163.14 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -113.66 163.28 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.619 0.247 . . . . 10.0 111.276 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.588 ' HG ' HD12 ' D' ' 61' ' ' ILE . 6.1 mp -57.22 -34.43 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -64.5 -26.71 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.76 -42.98 69.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 10.0 111.05 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' TYR . . . . . 0.453 ' HA ' ' HE3' ' B' ' 6' ' ' LYS . 89.5 m-85 -88.73 7.52 33.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.685 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 t30 59.04 47.53 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 10.0 112.332 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 61' ' ' ILE . . . . . 0.588 HD12 ' HG ' ' D' ' 56' ' ' LEU . 62.2 mt -89.27 122.3 40.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.628 -0.879 . . . . 10.0 108.628 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -126.13 -123.2 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.136 0.493 . . . . 10.0 111.998 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -95.1 134.71 37.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.142 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' D' ' 4' ' ' PHE . 39.2 mt-10 65.46 19.71 11.61 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -67.45 131.78 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.1 m -101.53 125.9 48.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.101 0.477 . . . . 10.0 111.758 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 67' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 43' ' ' LEU . 11.5 mt -108.19 134.5 50.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.15 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 68' ' ' HIS . . . . . 0.529 ' NE2' ' HA ' ' B' ' 46' ' ' ALA . 74.3 m-70 -98.81 112.16 24.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.507 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.1 114.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.81 158.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.469 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.6 145.84 36.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -91.71 118.74 30.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 tp -137.89 120.61 16.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.626 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 74' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' D' ' 74' ' ' ARG . 8.1 ptm85 -117.83 164.87 14.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.01 76.74 0.23 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.785 -0.722 . . . . 10.0 112.098 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.793 ' HA2' ' HZ2' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.436 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.551 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 34.5 ttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.901 0.381 . . . . 10.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 2' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 35.7 tt0 -85.91 108.32 18.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 pt -100.0 164.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.164 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' E' ' 66' ' ' THR . 85.5 m-85 -113.62 122.18 46.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.962 0.41 . . . . 10.0 111.542 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.436 HG21 HD12 ' E' ' 15' ' ' LEU . 55.3 t -106.68 122.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.755 -0.832 . . . . 10.0 108.755 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' E' ' 11' ' ' LYS . 97.0 mttt -118.64 148.98 42.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.276 0.56 . . . . 10.0 111.998 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 7' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 18.9 p -112.17 177.9 4.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.652 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.576 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.315 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.5 t -75.98 -13.67 60.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.915 0.388 . . . . 10.0 111.169 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.3 49.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.556 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.568 ' NZ ' ' HA2' ' B' ' 76' ' ' GLY . 2.1 tptt -64.51 126.27 27.33 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -118.5 119.14 33.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.16 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 tt -119.46 146.34 24.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -99.8 142.08 31.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' LEU . . . . . 0.648 HD11 HG12 ' E' ' 30' ' ' ILE . 14.5 mt -134.26 134.55 42.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.463 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -102.1 98.27 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.865 0.364 . . . . 10.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.547 HG12 ' HD2' ' E' ' 29' ' ' LYS . 16.5 m -129.78 175.35 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.479 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -111.26 154.04 43.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.73 -26.99 68.24 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.55 2.167 . . . . 10.0 111.639 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.45 2.12 30.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.797 -0.638 . . . . 10.0 112.033 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 152.04 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.328 . . . . 10.0 110.53 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.2 p -89.32 162.37 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 36.6 mm -62.63 -33.6 60.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.961 0.41 . . . . 10.0 109.927 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.88 -36.41 81.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.224 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -40.06 70.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.553 HG21 HD11 ' E' ' 56' ' ' LEU . 57.4 t -62.94 -41.67 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 27' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 77.7 mttt -58.46 -37.94 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.776 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.44 95.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.363 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.547 ' HD2' HG12 ' E' ' 17' ' ' VAL . 24.5 mttm -67.82 -32.98 73.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.866 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ILE . . . . . 0.648 HG12 HD11 ' E' ' 15' ' ' LEU . 60.6 mt -65.46 -36.86 78.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -73.5 -32.33 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.844 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.22 -33.55 69.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.577 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -88.09 -45.79 9.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -97.29 -65.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 10.0 111.678 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.92 -13.08 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.062 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 11.7 mt -61.2 124.89 82.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.423 0.289 . . . . 10.0 110.776 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 44.1 Cg_exo -59.01 134.44 59.94 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.691 2.26 . . . . 10.0 111.591 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.654 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 57.7 Cg_exo -53.88 -36.51 83.44 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.592 2.861 . . . . 10.0 113.942 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 39' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' E' ' 72' ' ' ARG . 14.0 t70 -74.05 -11.17 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 10.0 111.585 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.5 3.53 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.788 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.3 mt-30 -99.14 135.67 40.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.918 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -127.52 98.71 5.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 74.9 mt -88.02 117.82 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.453 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mt -109.37 126.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.125 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.755 ' HB3' HD21 ' E' ' 50' ' ' LEU . 82.9 t80 -127.13 123.51 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 18.55 10.65 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.838 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -5.64 43.1 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.409 -0.9 . . . . 10.0 113.696 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.793 ' HZ2' ' HA2' ' D' ' 76' ' ' GLY . 45.7 tttp -124.93 138.96 54.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.09 0.445 . . . . 10.0 111.949 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.32 132.57 45.88 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' E' ' 45' ' ' PHE . 24.0 mt -77.06 127.78 33.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.93 0.395 . . . . 10.0 110.968 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.53 134.11 45.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.816 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 52' ' ' ASP . . . . . 0.428 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 0.8 OUTLIER -54.12 -46.09 72.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.37 45.62 3.27 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.101 -0.571 . . . . 10.0 113.924 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -146.09 166.17 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 39.3 p -105.44 178.05 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.693 0.282 . . . . 10.0 111.123 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' E' ' 26' ' ' VAL . 8.8 mp -72.47 -39.18 67.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 10.0 110.699 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 6.7 m -65.58 -20.96 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' E' ' 55' ' ' THR . 2.6 m-20 -60.91 -36.27 78.85 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.99 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -104.63 21.57 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.589 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p30 46.69 44.5 13.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.339 -0.846 . . . . 10.0 113.215 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -70.92 116.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.331 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -90.79 179.52 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.092 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.551 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 19.1 ttpp -67.39 139.14 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.406 ' OE2' ' HG2' ' E' ' 63' ' ' LYS . 8.7 mp0 69.41 34.19 2.94 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 59.5 m -84.62 157.15 21.26 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.745 0.307 . . . . 10.0 111.064 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 66' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 14.0 m -109.36 129.44 55.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 10.0 111.911 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 67' ' ' LEU . . . . . 0.425 HD21 HD11 ' E' ' 50' ' ' LEU . 10.6 mt -111.76 131.72 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.923 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.42 112.65 24.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.31 122.92 43.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.115 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.74 170.56 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.64 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.15 122.57 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.527 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' E' ' 39' ' ' ASP . 1.0 OUTLIER -78.01 123.14 26.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.372 179.556 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.751 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.417 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.53 121.17 27.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.5 pt -114.3 151.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.049 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HB2' HG23 ' B' ' 66' ' ' THR . 64.8 m-85 -107.79 130.93 54.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.7 114.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.966 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.703 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 0.4 OUTLIER -101.38 129.0 47.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.181 -179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.23 -171.93 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.526 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.97 -14.95 63.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.855 0.36 . . . . 10.0 111.491 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.518 ' HB ' ' H ' ' B' ' 10' ' ' GLY . 0.3 OUTLIER -100.48 -132.82 0.27 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.345 179.594 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.703 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . -110.84 -12.86 15.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.681 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.96 132.87 54.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.509 . . . . 10.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -135.03 116.62 14.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -100.15 169.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.949 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -128.26 136.29 50.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 33' ' ' LYS . 80.9 mt -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.706 0.288 . . . . 10.0 111.011 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.89 122.54 33.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.202 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 m -134.92 175.96 9.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 10.0 111.007 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 38.4 mm-40 -114.06 150.38 43.48 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.4 -34.52 94.63 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.422 2.081 . . . . 10.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -96.54 22.75 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -77.16 136.81 38.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.63 144.49 33.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.382 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.1 mm -56.66 -39.5 63.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 10.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.787 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 3.9 pt-20 -61.81 -34.8 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.85 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -73.1 -39.34 65.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.2 t -62.61 -41.23 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.435 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.4 mttt -58.86 -39.9 82.71 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.103 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.07 89.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.17 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.32 -42.35 95.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.208 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 41.5 mt -70.76 -37.2 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.212 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -64.02 -43.84 94.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.525 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.75 -32.97 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.451 . . . . 10.0 110.936 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' B' ' 15' ' ' LEU . 60.4 tttp -76.25 -53.57 8.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.821 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.6 -72.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.84 -1.27 1.08 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.544 -0.836 . . . . 10.0 113.142 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -83.02 123.58 77.48 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 20.9 Cg_endo -59.91 145.85 97.27 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.882 2.388 . . . . 10.0 112.489 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.9 Cg_exo -59.1 -27.18 84.29 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.389 2.726 . . . . 10.0 113.271 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -18.05 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 10.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -105.56 3.39 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.39 . . . . 10.0 110.727 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.88 109.69 21.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.669 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 35.0 ttm180 -97.95 92.49 5.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.517 ' HB3' HD12 ' B' ' 50' ' ' LEU . 43.2 mt -82.16 112.69 19.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.011 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.413 HD11 ' HD3' ' B' ' 42' ' ' ARG . 69.1 mt -118.24 123.61 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.533 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -126.66 111.69 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.732 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.34 23.31 10.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.668 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.46 -5.51 77.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.538 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 54.3 mtt-85 -105.85 135.91 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.08 137.04 38.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.416 . . . . 10.0 110.61 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' B' ' 43' ' ' LEU . 49.3 mt -88.73 105.09 17.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.828 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.02 140.87 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.908 0.385 . . . . 10.0 111.283 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 6.8 m-20 -55.78 -37.41 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 10.0 112.46 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.01 11.39 11.57 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 114.513 0.565 . . . . 10.0 114.513 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -120.81 159.06 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.196 0.498 . . . . 10.0 110.45 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 p -103.46 169.62 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.346 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.9 mt -60.65 -28.74 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.009 0.433 . . . . 10.0 111.836 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -19.74 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.62 -28.06 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 10.0 111.545 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.0 17.1 19.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.897 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 56.62 48.64 16.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.683 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.92 126.89 43.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.31 -162.45 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.904 0.383 . . . . 10.0 110.606 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 63' ' ' ARG . 22.7 ttp180 -74.61 152.87 39.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.07 0.26 3.34 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.506 0.504 . . . . 10.0 112.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -77.11 132.48 38.88 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.213 0.53 . . . . 10.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.443 HG23 ' HB2' ' B' ' 4' ' ' PHE . 4.2 m -101.42 134.7 44.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.859 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.411 HD23 HD11 ' B' ' 50' ' ' LEU . 4.6 mp -117.9 150.82 38.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -106.05 131.48 53.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.148 0.499 . . . . 10.0 112.152 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 tp -106.74 97.58 7.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.217 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.74 163.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.871 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.529 HD23 ' HG2' ' B' ' 74' ' ' ARG . 12.2 tp -71.18 139.03 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 5.1 ttt180 -104.49 -63.04 1.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.94 116.15 21.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 10.0 111.459 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' B' ' 71' ' ' LEU . 41.7 mtp180 -131.58 -40.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.781 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.83 -123.19 2.08 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.37 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.645 ' HA2' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.623 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.17 0.51 . . . . 10.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' D' ' 16' ' ' GLU . 98.3 mt-30 -81.53 138.21 35.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.324 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -122.82 164.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.134 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.77 131.6 56.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.383 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.83 127.82 75.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 10.0 110.561 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -94.58 124.83 38.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.084 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -77.02 179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -72.93 -18.83 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 10.0 110.022 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -30.06 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.659 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.45 -5.01 10.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 135.72 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 10.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -105.45 101.99 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.964 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -92.4 141.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.897 0.38 . . . . 10.0 111.204 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.56 135.28 46.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.111 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' D' ' 29' ' ' LYS . 3.4 mt -147.49 140.64 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.925 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' D' ' 2' ' ' GLN . 1.3 tp10 -93.73 128.82 40.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.76 -177.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.066 0.46 . . . . 10.0 110.936 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 2.3 tm-20 -130.94 142.88 47.19 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PRO . . . . . 0.641 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 85.4 Cg_exo -48.59 -32.12 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.603 2.202 . . . . 10.0 112.684 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.27 3.39 27.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -76.94 134.41 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 10.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.47 153.0 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.065 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' D' ' 23' ' ' ILE . 26.2 mm -54.9 -37.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 10.0 111.602 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.361 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -68.7 -38.18 80.09 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -42.56 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.631 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.1 -40.09 92.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.709 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.14 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.749 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' D' ' 15' ' ' LEU . 95.9 mttt -64.49 -37.23 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.439 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.42 -35.14 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.285 0.564 . . . . 10.0 109.748 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.464 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 31.3 tt0 -69.05 -21.75 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.415 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.98 -33.68 22.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.402 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -89.03 -50.76 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -96.18 -44.72 7.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 10.0 110.986 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 101.04 21.98 11.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.445 -0.883 . . . . 10.0 112.947 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -81.97 125.62 77.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 69.8 Cg_exo -54.03 124.44 15.94 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.885 2.39 . . . . 10.0 111.653 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 52.6 Cg_exo -56.31 -26.05 59.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.204 2.603 . . . . 10.0 112.335 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.02 -39.34 93.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.453 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.66 24.6 5.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.998 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -106.52 115.82 30.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.978 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' D' ' 70' ' ' VAL . 35.2 ttp85 -122.29 110.78 16.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.419 HD12 HG23 ' D' ' 23' ' ' ILE . 97.1 mt -91.73 123.25 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.01 120.13 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.803 ' HB3' HD21 ' D' ' 50' ' ' LEU . 79.3 t80 -115.09 113.17 23.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.746 0.308 . . . . 10.0 111.388 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.68 15.34 8.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.49 19.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.467 -0.873 . . . . 10.0 113.565 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 138.13 36.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 10.0 111.792 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' D' ' 45' ' ' PHE . 23.3 mt -95.68 133.16 40.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 39.4 mt-10 -78.07 141.67 38.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.04 -48.83 75.25 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.45 57.45 4.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.458 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.3 mmt180 -141.84 157.04 45.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -103.23 173.89 6.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 39.4 mt -71.47 -29.83 65.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.004 0.43 . . . . 10.0 110.825 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -24.26 65.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.075 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.71 -38.87 89.46 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.456 0.646 . . . . 10.0 110.052 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.52 8.91 37.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.114 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 56.1 44.1 25.82 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.484 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 61' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' D' ' 56' ' ' LEU . 69.3 mt -77.8 119.53 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.34 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -103.4 -168.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 86.4 tttt -74.35 145.0 44.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.063 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 7.6 mt-10 78.22 1.57 2.72 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.927 0.767 . . . . 10.0 113.058 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -59.35 123.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 10.0 110.482 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -93.91 109.33 21.05 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.607 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -97.71 147.88 23.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.9 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -108.97 122.67 47.74 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.051 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 112.29 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.5 m -104.69 -175.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.154 0.502 . . . . 10.0 111.569 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.22 159.3 16.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.625 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -130.87 89.63 2.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -126.07 126.77 44.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.23 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -96.92 -52.48 3.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.74 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.06 122.16 1.52 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.98 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 C-N-CA 121.614 -0.327 . . . . 10.0 113.655 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.573 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 23.1 ttp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.064 0.459 . . . . 10.0 110.429 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 32.7 tt0 -76.52 114.5 15.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.828 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.524 HD11 HD21 ' E' ' 56' ' ' LEU . 1.0 OUTLIER -99.66 159.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.989 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -109.21 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.9 122.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' E' ' 12' ' ' THR . 91.4 mttt -122.15 145.86 47.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 10.0 111.788 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -106.71 176.5 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.673 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.618 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.4 OUTLIER -69.72 -20.48 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.163 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -84.62 -8.59 58.83 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.952 0.406 . . . . 10.0 111.474 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.68 56.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.089 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.645 ' NZ ' ' HA2' ' B' ' 76' ' ' GLY . 8.6 tttp -67.57 123.66 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 11.2 m -117.1 129.65 56.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.866 0.365 . . . . 10.0 111.437 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -123.97 135.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -98.93 135.71 39.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.056 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' E' ' 2' ' ' GLN . 4.8 mp -137.33 131.89 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -89.13 96.73 10.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.765 HG13 ' HE3' ' E' ' 29' ' ' LYS . 21.9 t -111.27 149.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.887 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 55.2 mm-40 -85.32 145.81 43.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.87 -26.67 82.98 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.801 2.334 . . . . 10.0 112.279 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -87.21 -0.8 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.902 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 19.5 m-20 -77.49 144.19 37.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 10.0 110.827 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 15.3 p -89.64 170.03 10.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ILE . . . . . 0.837 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 28.8 mm -58.8 -36.59 61.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.845 0.355 . . . . 10.0 110.367 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 24' ' ' GLU . . . . . 0.48 ' H ' ' HG3' ' E' ' 24' ' ' GLU . 0.8 OUTLIER -59.34 -37.73 78.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.948 179.113 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 19.8 m-20 -69.52 -41.78 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.5 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.554 HG22 HG11 ' E' ' 17' ' ' VAL . 38.2 t -63.44 -47.15 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.87 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -60.2 -39.68 87.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.831 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.69 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.585 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.765 ' HE3' HG13 ' E' ' 17' ' ' VAL . 23.6 mttm -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.543 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.88 -33.7 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.185 0.517 . . . . 10.0 110.457 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 62.5 tt0 -71.49 -22.12 61.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.539 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -87.0 -47.06 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.094 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -73.84 -50.8 18.66 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.81 -40.93 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 109.05 -1.98 31.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.452 -0.88 . . . . 10.0 112.869 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.45 122.16 86.36 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.7 Cg_exo -61.21 144.28 98.81 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.679 2.253 . . . . 10.0 111.252 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.73 -33.54 96.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.028 2.485 . . . . 10.0 112.003 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.04 -17.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.765 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -103.82 4.24 34.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 10.0 110.055 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.4 mt-30 -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.869 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 42' ' ' ARG . . . . . 0.444 ' HB3' HG23 ' E' ' 70' ' ' VAL . 37.1 ttm180 -127.73 109.18 11.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.004 -1.11 . . . . 10.0 108.004 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' E' ' 50' ' ' LEU . 53.9 mt -91.01 123.54 34.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.085 0.469 . . . . 10.0 111.835 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.61 128.61 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.677 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.853 ' HB3' HD21 ' E' ' 50' ' ' LEU . 78.8 t80 -136.08 120.65 18.25 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.54 16.92 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.762 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.95 -5.21 68.7 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -104.54 147.23 27.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.671 0.272 . . . . 10.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.04 126.25 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' E' ' 45' ' ' PHE . 38.0 mt -81.03 110.71 16.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.812 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.99 135.65 52.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 52' ' ' ASP . . . . . 0.837 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 3.5 m-20 -56.21 -42.45 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.94 38.21 1.74 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.851 0.7 . . . . 10.0 114.851 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -141.09 157.8 44.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.317 0.559 . . . . 10.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 55' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 68.6 p -93.0 -178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 56' ' ' LEU . . . . . 0.524 HD21 HD11 ' E' ' 3' ' ' ILE . 7.2 mp -69.88 -41.94 74.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -66.22 -21.59 66.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.8 OUTLIER -60.68 -34.21 73.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.011 0.434 . . . . 10.0 110.763 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -109.99 18.94 19.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.041 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p30 47.59 38.62 8.38 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 53.4 mt -73.53 120.77 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.635 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -98.24 -177.59 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.763 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.573 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 17.0 ttpp -73.57 139.95 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 73.69 17.94 3.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.75 0.656 . . . . 10.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 26.9 m -81.81 160.9 23.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.355 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 32.6 m -103.78 126.78 51.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.161 0.505 . . . . 10.0 112.159 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 73.9 mt -109.51 123.11 48.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.39 114.79 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.831 0.348 . . . . 10.0 110.875 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 69' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' E' ' 41' ' ' GLN . 36.7 tp -108.23 122.42 46.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.79 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' E' ' 42' ' ' ARG . 16.7 m -120.61 175.84 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.33 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tt -83.36 124.9 31.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 10.0 111.032 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -99.27 113.17 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.196 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.094 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.685 0.278 . . . . 10.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -85.83 130.62 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -122.39 159.63 25.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.54 126.88 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.766 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -116.32 123.08 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' B' ' 12' ' ' THR . 34.8 mttm -104.2 141.84 35.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.831 0.348 . . . . 10.0 111.428 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -177.94 4.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.01 -12.61 52.3 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -92.53 -24.9 18.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.19 0.519 . . . . 10.0 110.463 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.33 -9.61 26.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.599 -0.81 . . . . 10.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 25.3 ttm180 -58.41 133.17 55.52 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HG3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -110.33 118.96 37.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.515 -178.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.01 143.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.961 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -95.39 142.66 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -141.22 148.97 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.179 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.13 114.93 29.36 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.21 169.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.878 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.7 mm-40 -110.33 154.41 42.94 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.399 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.57 -28.14 86.7 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.129 1.886 . . . . 10.0 111.255 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.94 5.67 43.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.567 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 4.6 m-20 -72.22 134.13 45.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 10.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 146.91 29.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.026 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -53.68 -41.09 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.55 -34.86 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 29.2 t-20 -73.11 -36.22 66.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.99 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.32 -41.43 96.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.12 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.65 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.673 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -62.54 -37.34 85.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.927 0.394 . . . . 10.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.49 HD13 HD22 ' B' ' 69' ' ' LEU . 69.7 mt -73.14 -34.72 45.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.322 0.582 . . . . 10.0 109.705 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.467 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 10.5 tt0 -68.46 -31.38 70.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.542 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -26.09 45.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.703 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -92.69 -61.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 10.0 111.727 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -86.02 -38.5 17.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.664 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 101.42 21.4 11.58 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.445 -0.884 . . . . 10.0 112.629 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -87.0 121.6 71.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 63.4 Cg_exo -55.08 133.88 60.6 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.031 2.488 . . . . 10.0 111.84 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.34 -31.53 91.28 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 10.0 113.01 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 15.7 p-10 -79.18 -14.79 58.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.4 0.96 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.483 0.659 . . . . 10.0 109.503 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -94.24 127.03 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.522 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.556 ' HD2' HG23 ' B' ' 70' ' ' VAL . 12.1 ttm180 -116.8 89.23 3.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.95 121.77 23.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.493 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.84 131.61 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.277 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' B' ' 50' ' ' LEU . 71.2 t80 -123.56 118.36 27.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.774 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.709 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 69.34 -40.6 0.46 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.76 -3.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 153.68 21.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -91.21 133.25 35.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 45' ' ' PHE . 25.9 mt -81.33 134.22 35.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.686 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -83.48 138.59 33.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.568 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.64 -46.53 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.672 -0.695 . . . . 10.0 112.737 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 30.75 3.17 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.985 -0.626 . . . . 10.0 114.12 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.3 mmt180 -124.81 163.79 21.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.418 -0.46 . . . . 10.0 110.644 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 p -107.68 169.78 8.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.709 0.29 . . . . 10.0 111.091 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.439 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 71.1 mt -65.42 -33.44 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 10.0 111.035 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -25.82 67.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.669 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.96 -35.71 81.57 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.267 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -101.72 6.13 41.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.993 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.75 42.53 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.37 -0.832 . . . . 10.0 111.989 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.1 mt -81.82 126.58 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.67 -0.863 . . . . 10.0 108.67 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -112.29 -168.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -68.93 140.3 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.098 -0.955 . . . . 10.0 112.015 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.58 15.21 8.7 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.26 116.53 17.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -81.15 122.12 26.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.028 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -114.56 160.83 18.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.634 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 18.1 m170 -114.4 126.35 54.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.49 HD22 HD13 ' B' ' 30' ' ' ILE . 54.1 tp -106.49 94.47 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.149 -0.932 . . . . 10.0 108.972 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' B' ' 42' ' ' ARG . 3.4 m -90.98 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.289 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 tp -77.53 120.19 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 67.2 ttt180 -84.87 102.63 13.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.458 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.13 137.48 54.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -119.16 130.21 55.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.956 0.408 . . . . 10.0 111.566 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.32 -74.11 2.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.045 -0.598 . . . . 10.0 112.253 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.664 ' HA3' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.44 0 C-N-CA 121.098 -0.573 . . . . 10.0 111.865 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.945 0.402 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.34 140.27 33.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.679 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -115.05 162.51 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.888 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.93 121.33 43.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 10.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.53 HG21 HD12 ' D' ' 15' ' ' LEU . 87.4 t -102.36 110.61 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.792 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -92.15 112.33 24.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 60.8 p -80.29 -179.1 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 10.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.97 -32.0 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.775 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -17.67 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.621 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -7.82 45.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.58 134.19 49.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 1.5 m -117.43 110.16 17.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.891 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.468 HG13 ' HB ' ' D' ' 5' ' ' VAL . 32.8 pt -103.81 155.13 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 135.94 44.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.505 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.53 HD12 HG21 ' D' ' 5' ' ' VAL . 32.1 mt -131.4 133.48 45.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -82.9 123.44 29.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -134.48 177.66 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.161 0.505 . . . . 10.0 111.747 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 19.5 mm-40 -127.59 158.2 70.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.147 -0.933 . . . . 10.0 108.934 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.46 -27.37 82.27 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.195 1.93 . . . . 10.0 111.02 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -4.11 59.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.788 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.7 OUTLIER -67.0 137.89 56.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.782 0.325 . . . . 10.0 110.73 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -95.31 158.25 15.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ILE . . . . . 0.444 HG23 HD12 ' D' ' 43' ' ' LEU . 28.9 mm -56.8 -38.71 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.79 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.0 -45.79 91.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' D' ' 29' ' ' LYS . 32.4 t30 -64.95 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.416 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.29 -46.2 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.37 -39.37 83.09 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.428 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.593 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' D' ' 25' ' ' ASN . 87.1 mttt -67.06 -36.32 81.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.142 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.99 -38.44 79.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.111 0.481 . . . . 10.0 109.837 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' GLN . . . . . 0.426 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 61.9 tt0 -69.29 -25.82 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.294 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.4 -23.14 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.408 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -105.44 -55.52 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' GLU . . . . . 0.453 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.1 tp10 -93.38 -12.28 30.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 71.43 28.65 69.3 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.596 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' D' ' 34' ' ' GLU . 61.0 mt -88.7 119.91 70.08 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 43.3 Cg_exo -58.52 127.04 23.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.862 2.374 . . . . 10.0 111.894 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 36.3 Cg_exo -59.29 -23.89 71.84 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.364 2.709 . . . . 10.0 112.08 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.19 -40.22 89.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.274 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -95.38 -0.59 52.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.422 . . . . 10.0 110.981 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.35 135.06 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.224 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' D' ' 72' ' ' ARG . 13.4 ttp85 -143.26 108.72 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.636 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' D' ' 50' ' ' LEU . 73.3 mt -85.29 128.71 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 10.0 112.319 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -120.0 131.91 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD21 ' D' ' 50' ' ' LEU . 7.9 t80 -134.87 117.6 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.433 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 46' ' ' ALA . . . . . 0.709 ' HA ' ' H ' ' B' ' 46' ' ' ALA . . . 60.08 25.52 14.8 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.703 0.627 . . . . 10.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.81 -29.13 11.02 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.745 -0.741 . . . . 10.0 113.44 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.634 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -82.6 137.51 34.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.027 0.413 . . . . 10.0 110.564 -179.29 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -79.47 124.49 28.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.087 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' D' ' 45' ' ' PHE . 19.1 mt -77.8 127.01 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.433 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 51' ' ' GLU . . . . . 0.41 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 29.7 mt-10 -73.23 143.71 47.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.755 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.54 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.908 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 56.12 5.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' ARG . . . . . 0.41 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 30.6 mmt180 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.743 0.306 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -101.05 167.28 10.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.784 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.503 ' HG ' HD12 ' D' ' 61' ' ' ILE . 5.5 mp -64.69 -32.38 74.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 10.0 110.647 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -67.72 -24.67 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.427 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -67.08 -41.76 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 10.0 110.758 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.11 10.28 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.984 -0.553 . . . . 10.0 112.096 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 54.68 41.37 31.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.316 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 61' ' ' ILE . . . . . 0.503 HD12 ' HG ' ' D' ' 56' ' ' LEU . 54.0 mt -75.02 118.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 10.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -101.74 -175.69 2.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.726 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 63' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 71.8 tttt -71.69 141.28 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.407 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 74.6 mt-10 78.56 1.99 2.6 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.148 0.795 . . . . 10.0 113.148 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -68.18 139.53 56.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 10.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -104.2 124.44 49.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.258 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.9 134.64 46.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.577 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -96.8 128.44 43.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 10.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.3 114.57 28.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.69 168.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.201 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 39.7 tp -74.37 138.43 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.974 0.416 . . . . 10.0 111.517 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 72' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' D' ' 42' ' ' ARG . 34.9 ttp180 -121.75 95.67 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.928 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 tp -150.34 124.52 9.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.052 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -115.17 173.93 6.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.886 0.374 . . . . 10.0 111.173 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.86 148.49 19.83 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' GLY . . . . . 0.486 ' HA2' ' HZ1' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.792 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.0 ttp . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.847 0.356 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -87.9 132.07 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.038 0.447 . . . . 10.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -118.8 163.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.989 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' E' ' 66' ' ' THR . 50.8 m-85 -120.09 112.85 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.752 0.31 . . . . 10.0 110.92 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.26 119.97 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.138 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -107.17 171.55 7.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 10.0 111.152 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -136.42 169.82 17.06 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.416 HD23 HG12 ' E' ' 70' ' ' VAL . 2.5 pp -73.04 -4.64 33.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 10.0 111.45 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -97.69 -4.7 36.76 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.123 0.487 . . . . 10.0 110.259 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -22.21 41.16 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.275 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' LYS . . . . . 0.664 ' HZ3' ' HA3' ' B' ' 76' ' ' GLY . 10.2 tttp -56.81 131.82 50.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.158 0.504 . . . . 10.0 112.088 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -122.82 122.91 39.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.57 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -115.0 137.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.014 0.435 . . . . 10.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.29 137.89 32.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.012 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -143.46 149.5 37.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.593 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -106.92 110.7 22.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' VAL . . . . . 0.565 HG11 HG22 ' E' ' 26' ' ' VAL . 15.9 t -131.26 140.58 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.533 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.66 147.01 70.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.05 -27.88 86.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.605 2.203 . . . . 10.0 112.736 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.42 6.67 47.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.8 146.72 35.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.68 0.276 . . . . 10.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' THR . . . . . 0.48 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -86.49 152.42 22.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.144 -179.275 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 42.8 mm -55.34 -36.7 41.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.964 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' E' ' 52' ' ' ASP . 23.9 mt-10 -60.12 -38.08 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.233 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -77.57 -24.34 49.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.225 0.536 . . . . 10.0 110.137 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' VAL . . . . . 0.565 HG22 HG11 ' E' ' 17' ' ' VAL . 60.3 t -72.87 -40.89 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -61.02 -38.67 86.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.433 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.02 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.052 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' E' ' 17' ' ' VAL . 24.5 mtmm -72.34 -37.96 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.021 0.439 . . . . 10.0 110.56 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.21 -31.61 50.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.405 0.621 . . . . 10.0 109.94 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' GLN . . . . . 0.556 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 65.4 tt0 -74.6 -20.9 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.964 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.69 -47.58 11.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.506 . . . . 10.0 109.92 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.7 -78.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.82 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.98 -41.2 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.988 0.366 . . . . 10.0 111.988 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 105.76 9.89 31.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.537 -0.839 . . . . 10.0 112.385 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.04 119.42 77.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.1 140.22 82.82 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.809 2.34 . . . . 10.0 112.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.64 -25.2 66.51 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.191 2.594 . . . . 10.0 112.054 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.49 -27.41 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.088 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -108.48 8.92 27.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -93.77 126.24 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.987 0.365 . . . . 10.0 111.987 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -138.34 104.26 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.462 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 67' ' ' LEU . 15.5 mt -95.36 135.02 37.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 10.0 112.006 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.09 124.6 69.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.293 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -118.34 106.66 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.94 32.68 19.97 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -16.66 60.67 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 48' ' ' LYS . . . . . 0.486 ' HZ1' ' HA2' ' D' ' 76' ' ' GLY . 0.0 OUTLIER -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.746 0.308 . . . . 10.0 111.202 -179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -69.88 138.84 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 50' ' ' LEU . . . . . 0.49 HD11 HD21 ' E' ' 67' ' ' LEU . 20.2 mt -86.89 124.27 32.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.984 0.421 . . . . 10.0 111.753 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.12 140.04 29.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.98 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 1.4 m-20 -58.6 -30.76 67.46 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.72 8.6 48.46 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.908 1.123 . . . . 10.0 115.908 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 54' ' ' ARG . . . . . 0.431 ' HE ' ' HB3' ' E' ' 58' ' ' ASP . 19.6 mtp180 -123.42 168.23 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.063 0.932 . . . . 10.0 112.099 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -107.46 173.12 6.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.682 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -35.52 74.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.002 0.43 . . . . 10.0 111.273 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -67.3 -24.24 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.368 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB3' ' HE ' ' E' ' 54' ' ' ARG . 52.4 m-20 -75.04 -4.18 36.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.416 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 59' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' E' ' 54' ' ' ARG . 58.8 m-85 -127.82 15.13 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 p30 47.75 36.58 5.89 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.72 1.007 . . . . 10.0 113.72 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 61' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' E' ' 65' ' ' SER . 19.5 mt -74.92 129.66 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.965 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -105.96 -169.22 1.55 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.95 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 63' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 24.1 ttpp -74.19 135.79 42.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.489 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 22.9 mt-10 69.1 10.55 7.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 65' ' ' SER . . . . . 0.423 ' HB2' HG23 ' E' ' 61' ' ' ILE . 69.5 m -64.19 135.61 56.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.727 0.299 . . . . 10.0 110.311 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 6.8 m -87.93 130.38 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.514 . . . . 10.0 112.327 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 67' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 43' ' ' LEU . 2.1 mt -117.77 151.79 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.413 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -111.21 120.1 41.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.657 0.265 . . . . 10.0 110.56 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -104.14 113.06 26.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.077 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 70' ' ' VAL . . . . . 0.416 HG12 HD23 ' E' ' 8' ' ' LEU . 30.0 m -112.52 -177.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 tp -82.23 131.23 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.59 99.36 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.967 0.413 . . . . 10.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.237 0.443 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.433 179.268 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.729 ' HB2' ' HG3' ' B' ' 63' ' ' ARG . 20.4 ptt? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.863 0.363 . . . . 10.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -89.91 136.9 32.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.38 151.56 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.835 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -103.83 134.24 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.581 0.229 . . . . 10.0 110.483 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' HG13 ' B' ' 13' ' ' ILE . 36.1 t -118.06 112.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.63 140.03 30.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.873 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -87.67 -102.5 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -143.53 -47.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -69.2 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -21.96 0.2 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.4 -0.905 . . . . 10.0 112.711 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -56.74 121.48 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 10.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -120.51 122.02 39.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.874 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.538 HG13 ' HB ' ' B' ' 5' ' ' VAL . 29.3 pt -102.1 150.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.11 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -117.81 124.19 47.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 110.699 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -126.88 139.96 52.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -92.41 129.0 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.73 171.76 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 53.7 mm-40 -97.7 155.17 37.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.81 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.07 -35.53 98.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.498 2.132 . . . . 10.0 112.497 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 21.49 10.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.4 m-20 -74.08 132.21 42.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -79.58 149.48 31.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.383 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.3 mm -56.27 -38.73 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.257 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 11.7 pt-20 -63.96 -27.81 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 10.0 111.097 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -77.93 -40.59 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.52 -41.8 91.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.251 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 97.0 mttt -60.45 -36.31 77.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.755 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.23 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.62 -35.84 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 10.0 109.71 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.55 -32.54 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.843 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 44.0 tt0 -69.94 -29.15 66.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.306 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -54.69 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.729 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -76.13 -60.94 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -73.45 -33.53 64.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.05 35.82 14.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.349 -0.929 . . . . 10.0 112.246 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.23 123.36 37.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.7 Cg_endo -55.83 126.78 23.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 10.0 112.288 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 42.5 Cg_exo -59.11 -28.15 87.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.462 2.775 . . . . 10.0 112.437 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -69.25 -19.59 63.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.47 8.23 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.578 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.0 117.3 29.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -111.21 99.47 8.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.8 121.47 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.834 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.467 HG22 ' HA3' ' D' ' 47' ' ' GLY . 54.5 mt -120.21 138.48 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.634 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' D' ' 46' ' ' ALA . 29.1 t80 -153.95 136.64 15.22 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.65 4.42 3.37 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA2' ' HA2' ' D' ' 47' ' ' GLY . . . 102.4 1.08 50.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 48' ' ' ARG . 62.8 mtt180 -123.13 159.2 29.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.713 0.292 . . . . 10.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.7 144.72 26.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.611 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.3 mt -94.69 118.73 32.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 71.8 mm-40 -75.74 140.4 42.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.385 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.7 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 1.8 m-20 -53.83 -44.16 70.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.822 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.07 9.72 37.74 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 114.782 0.673 . . . . 10.0 114.782 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 40.5 mmt180 -104.47 155.16 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.497 0.649 . . . . 10.0 110.166 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.0 p -98.97 166.09 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 53.6 mt -64.04 -29.59 70.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.18 0.514 . . . . 10.0 110.409 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -23.44 61.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.901 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -66.54 -37.14 84.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.134 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -97.13 -3.17 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.401 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 t30 64.48 57.0 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.64 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.45 132.83 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.383 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -102.09 174.66 5.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.966 0.412 . . . . 10.0 111.836 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 20.4 ttp-105 -68.2 144.04 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.314 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 66.97 44.62 1.95 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.795 0.684 . . . . 10.0 112.798 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -107.56 137.31 45.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.628 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 6.6 m -98.44 119.36 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 10.0 110.641 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -109.47 156.96 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.766 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.784 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 63.5 m-70 -102.69 128.79 49.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.878 0.371 . . . . 10.0 111.433 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.26 109.3 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.868 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.03 159.37 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.155 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -84.02 134.34 34.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 10.0 110.587 179.809 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.753 0.311 . . . . 10.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.841 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 57.7 mt-30 -109.46 128.88 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.508 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -112.82 155.99 13.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.424 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' D' ' 64' ' ' GLU . 84.1 m-85 -115.81 117.38 30.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.84 125.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.812 0.339 . . . . 10.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' D' ' 69' ' ' LEU . 5.7 mmtm -92.55 113.66 25.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.291 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . 0.491 ' HA ' HD23 ' D' ' 69' ' ' LEU . 70.6 p -74.87 176.43 7.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 10.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.77 -20.84 61.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.201 0.524 . . . . 10.0 110.223 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -10.75 58.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.993 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.1 19.71 38.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.863 -0.684 . . . . 10.0 111.479 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.2 128.05 43.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.49 101.12 12.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.205 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 pt -90.82 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.347 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.98 126.92 51.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.695 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.574 HD11 HG12 ' D' ' 30' ' ' ILE . 58.1 mt -121.29 157.69 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.863 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -126.63 110.6 13.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.205 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . 0.511 HG11 HG22 ' D' ' 26' ' ' VAL . 16.8 m -140.43 -176.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.965 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 6.4 mm-40 -107.86 154.64 40.91 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.34 -27.54 81.59 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 10.0 111.485 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 1.46 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.286 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -72.13 142.56 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 10.0 110.823 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.61 31.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 45.6 mm -55.63 -46.84 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 111.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.64 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 16.4 pt-20 -71.25 -21.99 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -71.08 -39.23 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.055 0.455 . . . . 10.0 110.212 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.511 HG22 HG11 ' D' ' 17' ' ' VAL . 21.1 t -71.92 -25.71 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.383 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.02 -37.16 76.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.715 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.404 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.84 -28.48 66.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.822 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . 0.574 HG12 HD11 ' D' ' 15' ' ' LEU . 16.1 mt -70.6 -33.08 51.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -73.98 -33.2 63.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.799 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.45 -23.52 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.565 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -100.89 -49.98 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -99.28 -44.81 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.27 15.96 11.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.456 -0.878 . . . . 10.0 113.554 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 50.6 mt -84.9 126.73 67.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 31.8 Cg_exo -60.69 131.48 37.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.748 2.299 . . . . 10.0 111.845 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.4 Cg_exo -55.56 -29.97 72.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.263 2.642 . . . . 10.0 112.431 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -72.58 -20.66 61.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.53 -10.38 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.979 0.418 . . . . 10.0 110.397 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 79.2 mt-30 -83.18 110.46 18.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.052 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.439 ' HB3' HG23 ' D' ' 70' ' ' VAL . 31.6 ttp85 -109.75 102.15 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.609 HD22 HD13 ' D' ' 67' ' ' LEU . 20.1 mt -91.85 124.18 35.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.451 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' D' ' 49' ' ' GLN . 38.6 mt -124.83 125.96 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.231 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.628 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 38.6 t80 -115.6 116.18 27.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.734 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.784 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 56.21 44.19 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.145 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . 0.467 ' HA3' HG22 ' B' ' 44' ' ' ILE . . . 82.69 -10.71 55.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.611 -0.804 . . . . 10.0 114.364 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.412 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 69.7 mtt180 -112.53 124.66 53.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.703 0.751 . . . . 10.0 111.707 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' D' ' 44' ' ' ILE . 29.5 tt0 -64.86 143.21 58.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' D' ' 45' ' ' PHE . 37.6 mt -94.29 125.02 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.787 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.597 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 48.7 mt-10 -73.41 127.99 34.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' D' ' 24' ' ' GLU . 1.6 m-20 -50.95 -34.03 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -4.39 90.47 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.067 -0.587 . . . . 10.0 114.296 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.597 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 37.8 mmt180 -92.0 172.64 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.234 0.517 . . . . 10.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -115.22 176.88 4.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.148 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.69 -29.43 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.969 0.414 . . . . 10.0 110.02 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -33.62 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.996 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -64.32 -26.97 68.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.08 9.31 20.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 10.0 112.111 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 50.79 58.95 4.97 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.499 0.666 . . . . 10.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 68.6 mt -99.87 127.0 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -120.96 -166.89 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.206 0.527 . . . . 10.0 111.849 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 65.0 tttt -67.96 141.78 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.538 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' CE2' ' D' ' 4' ' ' PHE . 3.8 mt-10 78.5 4.43 2.6 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -71.93 142.11 49.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.0 m -107.62 131.25 54.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . 0.609 HD13 HD22 ' D' ' 43' ' ' LEU . 0.6 OUTLIER -107.37 135.29 49.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.281 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -90.63 109.45 20.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.931 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' D' ' 7' ' ' THR . 57.3 tp -96.47 109.4 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 10.0 109.925 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.9 m -109.09 170.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.025 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.002 0.43 . . . . 10.0 110.922 -179.789 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.039 0.447 . . . . 10.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -85.86 123.98 31.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -116.31 156.33 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 10.0 111.22 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 96.8 m-85 -120.83 113.44 20.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.342 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -104.26 134.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.692 ' HG2' HG23 ' E' ' 12' ' ' THR . 77.9 mttt -123.0 141.57 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -99.58 172.41 7.31 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.326 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.27 -25.12 67.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 10.0 111.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -82.87 -3.68 57.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.56 -8.85 68.98 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.694 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.12 123.79 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.934 0.397 . . . . 10.0 110.616 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . 0.692 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.4 m -107.31 146.45 31.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.6 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -144.42 133.75 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 10.0 110.782 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -93.8 128.59 40.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.04 153.34 47.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.64 97.85 7.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.709 HG11 HG22 ' E' ' 26' ' ' VAL . 24.8 t -121.18 137.98 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.415 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -70.22 147.9 95.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.75 -31.45 85.89 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.541 2.16 . . . . 10.0 111.885 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 21.64 8.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.669 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -91.75 148.19 22.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.651 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.408 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -84.15 154.94 22.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.069 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.02 -33.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.331 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -56.17 -44.65 79.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.209 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 97.9 m-20 -68.65 -36.39 78.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.709 HG22 HG11 ' E' ' 17' ' ' VAL . 39.6 t -61.26 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.83 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . 0.656 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 90.0 mttt -58.61 -39.9 81.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.023 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' E' ' 17' ' ' VAL . 67.5 mttm -68.45 -37.38 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.919 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.13 -33.93 66.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.999 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -70.71 -22.32 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.073 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -83.79 -48.23 10.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.601 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -76.33 -54.12 7.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -84.07 -44.49 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.43 41.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.645 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -82.17 123.17 79.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 37.7 Cg_exo -59.13 139.82 92.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.427 2.085 . . . . 10.0 111.142 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.656 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 65.0 Cg_exo -54.31 -33.51 76.32 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.09 2.527 . . . . 10.0 111.912 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 7.41 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.797 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -124.47 2.43 8.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' E' ' 69' ' ' LEU . 74.3 mt-30 -101.88 152.22 21.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.391 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 42.1 ttm-85 -146.7 102.94 3.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.427 ' HB3' HD12 ' E' ' 50' ' ' LEU . 48.3 mt -87.65 131.1 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.031 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 64.8 mt -129.12 121.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.722 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.53 ' HB3' HD21 ' E' ' 50' ' ' LEU . 67.4 t80 -121.56 120.88 36.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.83 22.58 13.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.714 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.22 -3.5 76.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -105.4 128.41 53.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.795 0.331 . . . . 10.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -70.32 142.42 52.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.197 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' E' ' 45' ' ' PHE . 19.8 mt -99.41 122.08 42.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -78.91 156.74 28.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.279 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.01 -54.13 24.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.77 50.35 3.27 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 114.908 0.723 . . . . 10.0 114.908 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -144.94 164.9 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.991 0.395 . . . . 10.0 110.072 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.92 160.37 15.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.6 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.81 -27.97 69.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.079 0.466 . . . . 10.0 110.975 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.953 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -73.4 -18.52 61.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.126 0.488 . . . . 10.0 110.644 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.08 10.23 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p30 44.66 51.43 8.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -84.84 107.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -78.7 179.29 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' E' ' 63' ' ' LYS . 14.9 ttpp -71.74 138.67 48.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.085 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 27.8 mt-10 68.78 28.24 5.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.8 0.667 . . . . 10.0 112.8 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -88.57 126.15 35.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 117.05 8.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.03 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.61 131.34 52.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -97.23 133.79 41.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.792 0.33 . . . . 10.0 111.694 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' E' ' 41' ' ' GLN . 34.1 tp -121.23 116.13 24.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' E' ' 42' ' ' ARG . 13.8 m -115.33 -170.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.75 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -86.15 150.72 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.255 0.55 . . . . 10.0 111.768 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.611 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.992 0.425 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' B' ' 14' ' ' THR . 79.6 mt-30 -105.27 125.09 50.59 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.295 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -104.55 151.6 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 66' ' ' THR . 45.3 m-85 -103.62 125.3 50.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -120.93 123.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 16.4 ttmm -108.89 131.03 55.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.955 0.407 . . . . 10.0 111.02 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -86.14 -167.01 1.7 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.4 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -82.29 -10.29 59.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.727 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -94.36 -4.03 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 10.0 111.199 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 -5.63 69.42 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.307 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 17.9 ttm180 -71.28 134.69 46.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.586 0.231 . . . . 10.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -117.2 121.58 41.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.764 0.316 . . . . 10.0 110.471 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -109.55 154.26 11.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.287 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.53 HG22 ' HB3' ' B' ' 2' ' ' GLN . 3.3 m -124.79 134.45 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 10.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.8 152.23 48.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.76 0.314 . . . . 10.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.41 123.58 31.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.529 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.64 156.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.977 0.417 . . . . 10.0 111.628 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.95 155.92 35.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.983 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.79 -24.65 74.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.564 2.176 . . . . 10.0 112.062 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -98.39 2.65 48.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.62 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -64.77 125.93 26.33 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -77.48 158.16 30.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.611 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.643 HG22 ' HE3' ' B' ' 27' ' ' LYS . 47.5 mm -56.92 -41.98 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.614 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -67.17 -33.48 75.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.161 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.99 -41.01 91.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.3 t -62.44 -42.95 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.58 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' B' ' 23' ' ' ILE . 90.0 mttt -58.83 -41.63 87.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.56 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.33 90.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.417 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 58.0 mt -68.9 -39.17 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.572 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -66.61 -36.9 83.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.911 0.386 . . . . 10.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.41 -13.61 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.246 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -101.93 -58.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.757 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -90.34 -38.6 13.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.823 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -22.24 13.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.704 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.82 122.67 63.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 122.319 0.248 . . . . 10.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.5 Cg_endo -59.15 139.19 89.31 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.928 2.419 . . . . 10.0 111.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.6 Cg_exo -59.89 -30.12 91.06 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.208 2.605 . . . . 10.0 113.594 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 11.8 p-10 -71.75 -25.08 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 111.584 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.54 4.7 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.957 0.408 . . . . 10.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 75.3 mt-30 -90.41 155.32 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.789 ' HB3' HG23 ' B' ' 70' ' ' VAL . 18.4 ttt180 -144.3 103.46 3.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.48 123.78 34.45 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.422 -0.353 . . . . 10.0 111.497 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -125.33 135.11 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.726 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.414 ' HB2' HD23 ' B' ' 67' ' ' LEU . 64.8 t80 -138.09 127.22 24.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.375 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.01 16.06 7.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.176 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.11 -8.68 65.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.598 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.9 156.73 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.781 -0.246 . . . . 10.0 110.715 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.32 146.52 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.33 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' B' ' 45' ' ' PHE . 78.8 mt -89.58 111.57 22.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.772 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 49.6 mm-40 -75.68 135.57 40.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.734 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.521 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 m-20 -62.38 -19.64 63.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.019 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.94 5.15 78.97 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.358 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 17.0 mmt180 -117.1 154.28 31.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.7 p -94.96 172.35 8.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.61 -32.18 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 10.0 110.496 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -16.57 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.013 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' B' ' 55' ' ' THR . 5.2 m-20 -72.0 -21.6 61.54 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.025 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.99 9.49 18.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 61.45 38.94 15.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.685 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.19 119.07 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -111.77 -159.87 0.7 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.366 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -82.74 151.96 25.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.29 1.57 3.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.564 0.54 . . . . 10.0 112.313 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -68.66 130.03 41.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.078 0.466 . . . . 10.0 110.377 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 10.8 m -102.11 130.4 48.7 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 45' ' ' PHE . 5.0 mp -116.18 160.43 20.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.918 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -104.88 142.38 34.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 10.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.07 116.69 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.189 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' B' ' 42' ' ' ARG . 0.8 OUTLIER -127.81 175.05 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.048 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.7 160.16 19.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.956 0.407 . . . . 10.0 111.28 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.338 179.729 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.791 0.329 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.71 138.11 36.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.073 0.463 . . . . 10.0 111.718 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -127.59 177.21 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -119.6 132.04 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.792 0.329 . . . . 10.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' D' ' 67' ' ' LEU . 72.6 t -125.98 131.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' D' ' 11' ' ' LYS . 27.9 mmmt -98.81 130.02 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -81.21 -178.07 6.75 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.565 ' HG ' HD23 ' D' ' 69' ' ' LEU . 54.0 mt -69.97 -18.44 63.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.009 0.433 . . . . 10.0 110.134 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.49 -15.05 29.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.28 50.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.753 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' D' ' 6' ' ' LYS . 85.8 tttt -70.48 138.11 50.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -101.77 98.96 9.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 44.6 pt -92.41 146.91 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.113 -0.329 . . . . 10.0 110.113 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.03 117.68 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.944 0.402 . . . . 10.0 110.469 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.482 HD11 HG12 ' D' ' 30' ' ' ILE . 86.7 mt -117.41 139.96 50.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -104.07 113.08 26.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.597 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.47 169.13 21.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.434 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 12.3 mm-40 -101.03 153.44 37.73 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.76 -24.46 75.82 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.461 2.107 . . . . 10.0 111.968 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.92 3.94 51.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.6 OUTLIER -76.27 153.19 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' D' ' 55' ' ' THR . 0.8 OUTLIER -92.8 158.22 15.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.785 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.421 HD12 HD13 ' D' ' 50' ' ' LEU . 47.4 mm -60.48 -39.75 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.95 0.405 . . . . 10.0 110.274 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.922 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -70.67 -40.19 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.014 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.31 -38.4 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.5 -40.11 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.482 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.48 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.031 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.401 ' HB3' HD22 ' D' ' 15' ' ' LEU . 21.6 mttt -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.482 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . 0.482 HG12 HD11 ' D' ' 15' ' ' LEU . 56.4 mt -68.32 -34.39 65.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 64.7 tt0 -74.37 -27.47 60.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.311 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -77.8 -43.14 31.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -81.19 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.55 -47.76 9.57 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.614 0.228 . . . . 10.0 111.614 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 113.27 12.45 12.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.418 -0.896 . . . . 10.0 112.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 61.8 mt -78.33 121.02 83.26 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 24.4 Cg_exo -65.1 129.73 23.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.821 2.347 . . . . 10.0 111.422 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.8 Cg_exo -55.39 -25.24 47.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.337 2.692 . . . . 10.0 112.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.41 -34.28 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.491 . . . . 10.0 110.644 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.53 9.51 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . 0.412 HE22 ' HB ' ' D' ' 30' ' ' ILE . 56.6 mt-30 -95.84 150.24 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.136 0.493 . . . . 10.0 111.996 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -166.12 97.59 0.62 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.096 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 HD13 ' D' ' 67' ' ' LEU . 66.2 mt -91.32 136.3 33.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.921 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mm -114.91 134.14 58.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.151 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' D' ' 50' ' ' LEU . 58.5 t80 -128.12 123.14 33.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.675 -0.238 . . . . 10.0 110.391 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.11 -37.64 0.37 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.92 -8.76 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.69 -0.767 . . . . 10.0 112.689 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.423 HH21 HG13 ' B' ' 70' ' ' VAL . 93.0 mtt180 -115.21 155.22 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.848 0.356 . . . . 10.0 111.232 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.04 135.33 35.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.465 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 45' ' ' PHE . 31.2 mt -79.7 117.96 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.47 146.2 40.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.47 42.09 2.57 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.411 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -131.02 153.04 49.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 77.8 p -99.47 171.51 7.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 37.8 mt -66.58 -33.17 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.035 0.445 . . . . 10.0 110.219 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -23.73 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.679 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.6 -37.02 77.44 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.286 0.565 . . . . 10.0 110.125 179.314 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.97 8.01 34.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.051 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 60.79 35.84 19.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.043 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.33 122.37 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -110.56 -166.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.282 0.563 . . . . 10.0 111.902 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -70.84 139.78 50.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.762 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 65.4 27.76 11.8 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -74.53 156.61 36.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 11.7 m -117.02 114.88 24.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.293 0.568 . . . . 10.0 111.355 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . 0.557 ' HB2' HG22 ' D' ' 5' ' ' VAL . 89.2 mt -105.72 124.14 49.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.802 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -99.84 131.05 46.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.975 0.417 . . . . 10.0 110.88 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' D' ' 8' ' ' LEU . 8.4 tp -92.52 131.63 37.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.022 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.0 154.81 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 120.826 0.346 . . . . 10.0 111.255 -179.217 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.945 0.402 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -73.11 133.01 43.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 10.0 111.978 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -113.42 166.33 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.904 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.459 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 11.0 m-85 -121.79 102.91 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.835 0.35 . . . . 10.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' E' ' 13' ' ' ILE . 25.7 t -95.13 122.27 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.092 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -120.28 163.36 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.115 0.483 . . . . 10.0 110.914 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -122.41 -166.81 1.47 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.46 HD22 HG12 ' E' ' 70' ' ' VAL . 0.6 OUTLIER -101.02 -5.48 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 110.504 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 4.9 t -99.5 -20.33 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.836 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.9 -6.6 8.9 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.183 -1.008 . . . . 10.0 113.604 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -72.03 131.47 42.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.603 0.24 . . . . 10.0 111.029 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -131.96 131.01 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.298 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' E' ' 5' ' ' VAL . 3.1 tp -131.24 134.36 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.84 125.11 45.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.536 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.07 152.64 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.911 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -98.53 110.65 23.21 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.631 HG13 ' HE3' ' E' ' 29' ' ' LYS . 38.5 t -133.59 132.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.494 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.19 147.61 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.51 -29.91 85.57 Favored 'Trans proline' 0 N--CA 1.473 0.293 0 C-N-CA 122.776 2.317 . . . . 10.0 112.395 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 9.72 14.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.555 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -84.24 163.94 19.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.481 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.514 ' O ' HG23 ' E' ' 26' ' ' VAL . 19.4 p -101.02 151.84 21.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.792 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.15 -41.16 68.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.248 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -58.06 -40.31 80.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.965 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 65.0 t30 -72.83 -35.01 67.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.557 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.526 HG22 HG11 ' E' ' 17' ' ' VAL . 62.1 t -63.49 -42.36 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 82.5 mttt -58.52 -39.32 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.308 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.68 84.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.567 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.631 ' HE3' HG13 ' E' ' 17' ' ' VAL . 28.5 mttm -63.83 -38.66 91.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.929 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.17 -34.13 64.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.508 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.69 -18.28 62.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.227 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.71 -29.3 36.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.772 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -97.8 -50.32 4.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.873 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.86 -52.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.44 -5.59 26.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.515 -0.85 . . . . 10.0 113.151 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 2.6 mp -75.61 128.37 84.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.605 0.24 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' E' ' 36' ' ' ILE . 26.5 Cg_exo -63.23 145.73 93.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.04 2.494 . . . . 10.0 112.371 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 50.7 Cg_exo -56.3 -27.68 68.15 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.353 2.702 . . . . 10.0 112.221 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -21.57 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.011 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -106.09 2.56 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.994 0.426 . . . . 10.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -96.93 118.0 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.798 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' E' ' 70' ' ' VAL . 15.4 ttt180 -117.11 98.06 6.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 177.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.641 ' HB3' HD12 ' E' ' 50' ' ' LEU . 14.5 mt -89.12 131.31 35.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.949 -0.569 . . . . 10.0 112.464 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -131.12 127.63 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.116 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.538 ' HB3' HD21 ' E' ' 50' ' ' LEU . 29.4 t80 -116.37 109.53 17.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.717 0.294 . . . . 10.0 111.415 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.91 39.78 23.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.692 -0.685 . . . . 10.0 112.235 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 2.53 90.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.99 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -109.6 125.87 53.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.357 . . . . 10.0 110.556 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' E' ' 49' ' ' GLN . 0.1 OUTLIER -66.2 138.55 57.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.394 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.641 HD12 ' HB3' ' E' ' 43' ' ' LEU . 43.6 mt -100.78 109.12 21.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.833 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.43 143.13 44.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.414 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.0 -47.43 80.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 36.54 2.35 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 115.279 0.871 . . . . 10.0 115.279 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -132.75 168.72 17.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.635 0.717 . . . . 10.0 110.888 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -105.64 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 10.0 111.219 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . 0.418 HD11 HG21 ' E' ' 26' ' ' VAL . 8.4 mp -67.99 -42.2 81.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 111.218 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -62.86 -22.02 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.773 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.93 -21.77 66.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 10.0 110.921 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -115.86 19.84 14.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 p30 49.0 40.58 17.35 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.62 134.98 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.476 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' E' ' 63' ' ' LYS . 33.7 mm-40 -107.83 -140.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' E' ' 62' ' ' GLN . 24.4 ttpp -101.9 133.27 46.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 11.1 mt-10 64.06 30.9 13.81 Favored 'General case' 0 C--O 1.231 0.085 0 O-C-N 123.566 0.541 . . . . 10.0 112.056 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -71.26 137.52 48.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.295 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -79.4 104.05 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 18.1 mt -101.25 131.3 47.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.451 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -96.31 128.62 43.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.81 0.338 . . . . 10.0 111.252 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.68 111.24 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' E' ' 42' ' ' ARG . 32.0 m -111.27 171.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.828 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 34.4 tp -84.48 127.15 33.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 10.0 111.433 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' E' ' 72' ' ' ARG . 6.4 ttp180 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.01 0.433 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.23 123.14 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.267 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.18 151.2 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 66.4 m-85 -112.02 122.45 47.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.903 0.383 . . . . 10.0 111.514 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.0 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.56 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 44.3 tttm -103.75 136.26 43.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.987 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.31 174.07 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.292 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.462 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -63.02 -26.94 69.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.571 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -37.3 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.778 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 133.43 -21.26 4.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.586 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.49 116.04 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 10.0 111.561 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.707 HG21 HD22 ' D' ' 60' ' ' ASN . 4.8 m -108.96 116.61 32.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.462 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 pt -104.03 152.4 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.554 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -106.5 137.62 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.302 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -134.4 142.46 47.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.81 0.338 . . . . 10.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.81 116.18 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.36 171.44 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.354 . . . . 10.0 111.086 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.06 150.93 39.33 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.624 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.4 -27.77 85.85 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.398 2.066 . . . . 10.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.21 1.62 50.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.986 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -72.62 142.71 48.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.064 0.459 . . . . 10.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.1 p -90.7 160.21 15.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.106 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.4 -37.88 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.917 0.389 . . . . 10.0 110.185 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -64.05 -30.0 71.1 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.096 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.75 -42.69 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.83 -41.06 87.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.92 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.3 mttt -57.11 -43.99 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.917 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.47 98.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.312 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.43 -36.77 84.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.76 -34.35 67.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -71.46 -33.11 69.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.661 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.23 -25.28 62.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.924 0.392 . . . . 10.0 110.838 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -96.14 -53.24 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.893 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -91.92 -44.68 8.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.79 -9.03 32.07 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.538 -0.839 . . . . 10.0 113.244 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.89 125.84 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.518 0.199 . . . . 10.0 111.348 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.2 Cg_endo -59.16 130.72 37.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.054 2.503 . . . . 10.0 111.827 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.8 Cg_exo -56.58 -25.8 61.02 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 123.542 2.828 . . . . 10.0 114.25 -178.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -75.83 -21.71 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.86 -8.69 25.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.89 0.376 . . . . 10.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.5 118.91 19.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.546 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 14.8 ttm180 -110.94 96.41 6.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.98 123.31 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.309 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -120.39 130.35 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.864 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.438 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.2 t80 -121.98 130.17 53.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.576 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 66.97 -67.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.853 0.721 . . . . 10.0 111.102 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 14.23 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.531 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.59 150.14 50.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.564 -0.374 . . . . 10.0 110.918 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.57 133.01 35.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' B' ' 45' ' ' PHE . 35.5 mt -74.55 126.32 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' OH ' ' B' ' 59' ' ' TYR . 59.2 mm-40 -74.03 138.01 43.78 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.98 -43.92 73.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.738 1.014 . . . . 10.0 113.738 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.35 20.18 15.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.782 -0.723 . . . . 10.0 114.671 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.4 mmt180 -110.17 156.94 19.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.617 0.708 . . . . 10.0 110.658 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 74.6 p -99.66 168.15 10.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.81 -33.95 75.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 10.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -22.64 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.69 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -71.17 -20.88 62.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' HG2' ' B' ' 51' ' ' GLU . 65.9 m-85 -110.44 8.82 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 10.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.64 34.89 20.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -76.44 110.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -80.25 -168.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 3.3 ttp-105 -86.84 146.92 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.8 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.464 ' N ' ' HG2' ' B' ' 63' ' ' ARG . 44.9 mt-10 60.47 35.63 20.27 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.786 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -95.98 126.44 41.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.686 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.597 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 8.6 m -86.14 109.54 18.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.333 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.09 154.34 17.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.842 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 41.9 m-70 -106.61 124.96 50.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.109 0.481 . . . . 10.0 111.263 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -103.84 117.01 33.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.12 -177.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.5 tp -92.98 137.77 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.189 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 70.3 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.184 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.068 0.461 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' D' ' 15' ' ' LEU . 70.3 mt-30 -84.4 133.39 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.939 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.4 163.62 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.259 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.28 127.55 54.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.896 0.379 . . . . 10.0 110.799 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.507 ' HB ' HG13 ' D' ' 13' ' ' ILE . 52.5 t -116.14 127.29 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.271 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.85 127.65 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.615 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -82.03 -179.36 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.09 -20.73 60.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.147 0.499 . . . . 10.0 109.938 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -22.66 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.43 17.12 12.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.917 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -85.07 143.28 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -109.85 111.81 23.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.821 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.507 HG13 ' HB ' ' D' ' 5' ' ' VAL . 22.1 pt -109.27 137.94 38.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.333 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -101.42 126.47 48.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.016 0.436 . . . . 10.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.598 HD21 ' HG3' ' D' ' 33' ' ' LYS . 80.1 mt -123.35 138.96 54.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.635 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -105.67 112.12 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.65 -173.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.317 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 26.2 mm-40 -110.97 153.36 43.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.818 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.8 -32.68 93.12 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.304 2.003 . . . . 10.0 111.526 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.51 10.99 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.465 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 1.1 m-20 -82.62 142.36 31.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.855 0.359 . . . . 10.0 111.432 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 155.35 27.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.085 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 46.5 mm -58.76 -44.96 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.716 0.293 . . . . 10.0 111.226 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 9.4 pt-20 -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.908 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.21 -38.75 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.164 0.507 . . . . 10.0 109.785 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.96 -34.72 72.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -58.01 -34.53 70.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.165 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.21 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD22 ' D' ' 15' ' ' LEU . 58.2 mttt -69.44 -35.33 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 10.0 110.324 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.1 -34.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.2 tt0 -68.65 -26.94 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -86.52 -43.18 12.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.334 -0.393 . . . . 10.0 111.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.598 ' HG3' HD21 ' D' ' 15' ' ' LEU . 49.2 mmtt -70.96 -50.04 38.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.836 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.42 -56.7 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.8 0.333 . . . . 10.0 111.352 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 125.52 -4.66 8.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.838 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 44.5 mt -68.76 122.95 86.76 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.657 0.265 . . . . 10.0 110.761 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 32.4 Cg_exo -61.51 136.89 66.04 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 123.055 2.503 . . . . 10.0 111.564 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 77.2 Cg_exo -52.49 -32.51 53.3 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.577 2.851 . . . . 10.0 113.591 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.99 -29.74 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 10.0 111.468 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -94.09 4.57 53.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.458 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -98.15 145.42 26.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.936 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.7 ttp85 -156.96 102.35 1.99 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.943 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' D' ' 67' ' ' LEU . 51.9 mt -88.2 132.37 34.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.96 135.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.63 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 12.9 t80 -126.54 111.01 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.101 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.842 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 53.35 43.22 31.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.67 -16.84 43.49 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.966 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -95.64 147.0 24.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 117.108 0.454 . . . . 10.0 111.529 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . 0.406 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 25.9 tt0 -88.02 133.84 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.09 115.94 23.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.062 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.651 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 46.4 mt-10 -71.57 129.67 39.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . 0.582 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 13.2 m-20 -58.77 -25.66 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.926 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.78 10.6 64.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.267 -0.492 . . . . 10.0 113.983 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 21.4 mmt180 -115.17 166.41 11.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.26 0.53 . . . . 10.0 110.102 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -104.92 168.64 8.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.217 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.99 -32.93 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 10.0 109.932 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -27.36 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.596 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -64.76 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 10.0 111.483 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.28 0.07 47.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . 0.707 HD22 HG21 ' B' ' 12' ' ' THR . 60.1 t30 61.09 47.48 7.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.304 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 mt -88.24 111.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.97 -163.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.651 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 81.2 tttt -78.17 150.23 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 39.0 mt-10 73.99 12.04 4.33 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -77.57 149.28 34.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.417 -0.216 . . . . 10.0 110.417 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 5.2 m -114.45 117.47 31.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.093 0.473 . . . . 10.0 111.816 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' D' ' 43' ' ' LEU . 18.9 mt -108.83 149.46 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -126.57 148.33 49.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.7 -0.4 . . . . 10.0 111.747 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -115.94 152.13 17.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 10.0 111.632 -179.14 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.056 0.455 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . 0.605 ' HB2' ' HG3' ' E' ' 16' ' ' GLU . 36.3 tt0 -75.68 119.22 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.427 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.461 ' H ' HG13 ' E' ' 3' ' ' ILE . 2.0 pp -113.65 175.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.098 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' E' ' 66' ' ' THR . 96.0 m-85 -116.23 136.08 53.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 10.0 111.205 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' E' ' 13' ' ' ILE . 46.6 t -121.19 125.9 74.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -118.22 162.61 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 10.0 111.813 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -125.26 176.22 6.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.089 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.89 -23.75 62.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 10.0 110.061 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -31.58 58.89 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.49 -0.777 . . . . 10.0 110.329 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.67 -11.11 13.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 10.0 112.567 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -60.79 114.53 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.007 0.432 . . . . 10.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -103.97 146.32 28.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.366 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' E' ' 5' ' ' VAL . 11.2 tp -142.47 154.66 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.265 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p -114.08 141.74 47.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.29 128.88 12.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . 0.605 ' HG3' ' HB2' ' E' ' 2' ' ' GLN . 2.1 mp0 -89.3 104.88 17.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.209 -0.664 . . . . 10.0 109.209 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.69 HG13 ' HE3' ' E' ' 29' ' ' LYS . 40.7 t -121.66 140.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.462 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' E' ' 19' ' ' PRO . 42.4 mm-40 -74.12 143.26 80.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.302 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 24.5 Cg_exo -64.44 -23.79 64.63 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.695 2.263 . . . . 10.0 111.608 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 13.94 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.897 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.12 143.97 27.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.717 0.294 . . . . 10.0 110.969 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' E' ' 25' ' ' ASN . 0.1 OUTLIER -76.81 160.11 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.751 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . 0.707 HG23 HD12 ' E' ' 43' ' ' LEU . 31.8 mm -57.99 -41.04 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.153 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.33 -29.32 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.975 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 4.5 m-20 -67.55 -41.4 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.622 HG22 HG11 ' E' ' 17' ' ' VAL . 20.3 t -64.68 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.58 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . 0.536 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 86.0 mttt -59.76 -41.38 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.598 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.75 92.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.229 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.69 ' HE3' HG13 ' E' ' 17' ' ' VAL . 35.1 mttm -62.32 -40.95 98.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.576 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.68 -38.09 79.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.13 0.49 . . . . 10.0 109.837 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.4 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.38 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.8 -25.44 59.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -89.71 -60.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.992 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.55 -49.7 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 5.19 13.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.434 -0.889 . . . . 10.0 112.299 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -83.88 123.51 75.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.4 Cg_exo -56.4 141.63 89.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.894 2.396 . . . . 10.0 112.275 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 50.6 Cg_exo -57.07 -33.55 95.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.374 2.716 . . . . 10.0 112.845 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -4.97 37.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.979 0.419 . . . . 10.0 111.756 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . 0.563 HE21 HD11 ' E' ' 71' ' ' LEU . 33.1 mt-30 -108.81 4.99 24.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.019 0.438 . . . . 10.0 110.101 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -110.47 140.57 44.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.249 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.7 ' HB3' HG23 ' E' ' 70' ' ' VAL . 17.9 ttm180 -130.32 97.66 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.707 HD12 HG23 ' E' ' 23' ' ' ILE . 10.3 mt -72.17 124.1 24.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.09 128.71 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.448 -0.797 . . . . 10.0 109.062 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' E' ' 50' ' ' LEU . 53.8 t80 -128.66 115.03 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.96 30.39 19.59 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.1 -9.16 78.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.642 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -96.57 127.86 42.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.663 0.268 . . . . 10.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -75.9 128.56 35.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' E' ' 43' ' ' LEU . 14.3 mt -87.34 123.13 31.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 10.0 111.245 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -75.04 139.48 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.246 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.15 -42.48 77.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.69 0.996 . . . . 10.0 113.69 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.09 17.32 17.95 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 115.042 0.777 . . . . 10.0 115.042 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . 0.419 ' O ' HG12 ' E' ' 23' ' ' ILE . 81.6 mtp180 -114.7 165.47 12.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.59 0.695 . . . . 10.0 110.973 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 0.6 OUTLIER -103.74 179.66 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 10.0 111.927 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.11 -36.88 72.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.939 0.4 . . . . 10.0 111.217 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.91 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.3 m-20 -58.36 -40.45 82.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.087 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 7.5 m-85 -106.53 20.04 19.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.715 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.32 39.2 4.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 31.7 mt -73.54 117.57 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.258 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -100.38 -164.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.096 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -77.81 157.13 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.003 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 61.48 28.52 17.83 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 21.1 m -89.77 161.52 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.219 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 4.7 m -117.42 118.93 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.457 . . . . 10.0 112.088 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -100.12 165.94 11.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.838 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.2 135.54 53.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.531 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -113.87 87.51 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.081 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' E' ' 42' ' ' ARG . 3.0 m -104.0 162.28 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.39 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . 0.563 HD11 HE21 ' E' ' 40' ' ' GLN . 39.0 tp -77.84 132.84 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.641 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.582 179.159 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.301 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.72 138.2 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.955 0.407 . . . . 10.0 111.222 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -124.96 167.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.779 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.35 129.21 56.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.551 0.215 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -110.75 114.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' B' ' 10' ' ' GLY . 46.5 tttm -113.77 141.63 47.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.5 p -96.15 -174.82 3.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.89 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.88 -24.26 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 10.0 110.525 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -75.41 -46.78 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.292 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' B' ' 6' ' ' LYS . . . 147.37 -23.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.317 -0.944 . . . . 10.0 112.831 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 22.8 ttm180 -52.98 125.29 16.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 10.0 111.969 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 0.2 OUTLIER -122.52 122.42 38.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.516 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.484 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.3 pt -113.78 141.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.794 0.331 . . . . 10.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.23 122.72 41.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.759 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.29 144.43 50.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -92.65 125.56 37.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.725 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.73 164.17 15.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -104.72 146.02 31.83 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.07 -31.16 81.78 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.48 2.12 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.41 -5.0 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -68.33 133.04 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 10.0 110.451 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 154.24 35.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.655 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.95 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.5 mm -57.72 -39.13 68.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -64.19 -29.88 70.97 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.84 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.86 -38.19 67.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.77 -37.64 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.274 -0.876 . . . . 10.0 109.839 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 31.5 mmtp -57.76 -36.71 72.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.472 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.81 92.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.578 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.63 -40.45 84.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.88 0.372 . . . . 10.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.22 -35.63 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.235 0.54 . . . . 10.0 109.647 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.475 ' HG3' ' HD3' ' B' ' 38' ' ' PRO . 1.9 tt0 -72.31 -23.32 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.555 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.71 -42.67 15.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.531 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -77.3 -56.55 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -81.72 -52.64 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.456 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 117.03 -11.21 14.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.345 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 127.2 91.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 122.521 0.329 . . . . 10.0 110.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 27.5 Cg_endo -62.85 133.65 42.83 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 10.0 112.307 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 53.4 Cg_exo -55.79 -28.68 68.37 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.563 2.842 . . . . 10.0 113.195 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -25.35 66.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -106.57 3.17 26.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.876 0.37 . . . . 10.0 111.049 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -84.48 104.01 14.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.518 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 11.7 ttt180 -100.74 96.09 7.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' B' ' 50' ' ' LEU . 28.7 mt -87.71 123.99 33.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -121.43 134.63 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -133.8 132.54 40.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.786 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.85 -67.53 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.759 0.662 . . . . 10.0 111.282 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.74 15.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.522 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -132.74 160.63 36.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 10.0 110.617 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -83.2 141.86 31.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' B' ' 43' ' ' LEU . 82.4 mt -84.0 112.54 20.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.97 120.61 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.95 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 m-20 -54.28 -32.03 55.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.76 -1.32 77.56 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.853 -0.689 . . . . 10.0 113.562 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 17.2 mmt180 -105.08 165.46 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.0 0.4 . . . . 10.0 111.436 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.9 p -99.38 -179.57 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.238 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -73.29 -35.58 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.039 0.447 . . . . 10.0 110.021 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -23.9 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.021 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.81 -39.68 92.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -97.69 7.56 46.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.16 35.1 13.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.16 123.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.14 -1.059 . . . . 10.0 108.14 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -113.71 -162.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -73.28 143.15 47.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.792 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.27 20.65 12.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -85.14 130.17 34.66 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.0 m -91.19 125.06 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 10.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 50' ' ' LEU . 5.1 mp -110.77 150.03 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.528 ' ND1' ' HD2' ' D' ' 48' ' ' ARG . 76.1 m-70 -107.77 128.77 54.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.241 0.543 . . . . 10.0 112.411 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -99.41 127.31 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.088 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.68 150.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.05 113.13 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 30.1 ttp180 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.693 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.492 ' SD ' ' HA ' ' D' ' 62' ' ' GLN . 41.6 ttp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.929 0.395 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -123.33 129.66 51.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.966 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.62 160.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -115.2 113.1 23.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.478 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -99.36 130.89 47.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -109.66 112.81 25.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 10.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 50.5 p -75.99 176.49 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' D' ' 70' ' ' VAL . 46.3 mt -68.36 -23.94 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 10.0 110.334 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -6.19 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.399 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.38 28.23 53.17 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.77 132.85 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.599 0.238 . . . . 10.0 110.387 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 110.08 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.242 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 51.7 mt -110.25 121.11 62.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.03 133.37 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.425 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 mt -134.02 138.07 45.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -87.42 121.19 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -137.18 168.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.265 0.555 . . . . 10.0 112.143 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -112.29 155.31 43.79 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.092 -0.958 . . . . 10.0 108.457 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.68 -33.29 93.45 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.13 1.887 . . . . 10.0 111.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.7 8.15 33.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.982 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.35 136.82 42.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . 0.449 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -84.79 150.9 24.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.757 0.313 . . . . 10.0 111.743 -178.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.89 -45.97 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.359 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.79 -24.71 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.188 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.28 -44.5 29.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.759 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 22' ' ' THR . 22.3 t -64.88 -32.7 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.189 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . 0.799 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 73.5 mttt -57.03 -35.47 69.33 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.887 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.29 79.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.626 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.85 -37.8 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' D' ' 26' ' ' VAL . 71.5 mt -64.91 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.859 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.12 -29.66 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.84 -28.99 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.577 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -90.53 -43.38 10.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.424 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.86 -83.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.29 -28.62 0.34 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.008 -1.092 . . . . 10.0 113.643 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.17 122.72 37.88 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 116.646 0.223 . . . . 10.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.65 137.81 79.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.242 2.628 . . . . 10.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.799 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 48.8 Cg_exo -58.55 -25.17 73.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.286 2.657 . . . . 10.0 112.823 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.97 -40.52 95.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.013 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.25 -27.13 38.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.62 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.26 128.41 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.57 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.401 ' HB3' HG23 ' D' ' 70' ' ' VAL . 28.1 ttp85 -127.65 101.2 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.02 123.55 29.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.784 -0.643 . . . . 10.0 112.471 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 41.7 mm -118.11 129.3 74.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.414 -0.812 . . . . 10.0 108.976 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD11 ' D' ' 50' ' ' LEU . 23.5 t80 -107.82 88.31 2.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.709 0.29 . . . . 10.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.74 51.93 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 -45.9 1.33 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.608 -0.806 . . . . 10.0 114.507 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 50.8 mtt180 -87.45 140.75 29.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -82.98 141.1 32.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.887 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' D' ' 45' ' ' PHE . 12.6 mt -101.68 142.86 32.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.961 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.553 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 70.5 mt-10 -82.02 147.76 28.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.52 -42.69 95.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.47 49.78 4.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.577 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.553 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 27.1 mmt180 -131.76 154.77 48.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.695 0.283 . . . . 10.0 110.535 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.57 173.83 7.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -79.88 -18.93 49.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -10.68 57.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 110.819 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.05 -56.45 6.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.495 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . 0.411 ' CG ' HD22 ' D' ' 50' ' ' LEU . 92.8 m-85 -91.56 9.88 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.739 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 64.33 60.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.345 0.593 . . . . 10.0 112.184 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -107.03 114.02 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.492 ' HA ' ' SD ' ' D' ' 1' ' ' MET . 4.9 mt-30 -119.2 -155.72 0.62 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.818 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 70.7 tttt -74.9 142.02 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.57 0.224 . . . . 10.0 110.434 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 15.5 mt-10 77.44 3.83 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.393 -0.821 . . . . 10.0 112.84 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -72.84 142.54 48.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -105.09 129.5 53.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.42 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.37 117.57 30.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -91.66 139.31 30.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.57 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 mt -104.52 143.52 32.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.506 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.555 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.8 m -136.13 178.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.287 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.68 -179.756 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . 0.689 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 42.3 ttp . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.836 0.35 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.28 119.63 29.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.445 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.409 HD12 HD12 ' E' ' 67' ' ' LEU . 44.7 pt -92.15 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.351 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG3' ' E' ' 64' ' ' GLU . 53.8 m-85 -124.07 92.62 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 10.0 111.514 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.21 123.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' E' ' 66' ' ' THR . 94.6 mttt -124.21 138.35 54.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.092 0.473 . . . . 10.0 111.844 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -100.96 159.49 15.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.287 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.674 HD22 HG12 ' E' ' 70' ' ' VAL . 1.9 pt? -69.32 -12.05 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.32 -10.68 59.0 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.83 0.347 . . . . 10.0 111.293 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 49.72 1.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.869 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' E' ' 6' ' ' LYS . 1.5 tmtp? -134.99 136.12 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 10.8 m -124.98 127.59 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.732 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tp -121.14 133.93 66.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.431 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' E' ' 33' ' ' LYS . 17.6 p -95.11 137.79 33.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.145 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.86 145.55 34.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.532 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -88.99 112.71 23.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.017 0.437 . . . . 10.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.426 HG11 HD13 ' E' ' 56' ' ' LEU . 51.4 t -128.53 139.44 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.078 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 66.7 mm-40 -83.91 153.38 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.23 -17.28 56.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.493 2.129 . . . . 10.0 112.074 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -108.81 12.72 25.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.7 OUTLIER -71.81 148.65 46.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.989 0.423 . . . . 10.0 111.422 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.445 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.6 OUTLIER -90.46 155.63 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.02 -43.52 89.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.36 . . . . 10.0 110.929 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -62.64 -33.59 75.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.924 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 5.8 t-20 -69.94 -40.49 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.076 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.445 HG23 ' O ' ' E' ' 22' ' ' THR . 63.6 t -62.73 -42.75 97.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 81.8 mttt -58.63 -39.59 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.271 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.36 94.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.14 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' E' ' 25' ' ' ASN . 58.1 mttt -65.62 -41.05 93.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.66 -35.46 75.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.181 0.515 . . . . 10.0 110.021 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 55.6 tt0 -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.934 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -82.16 -42.04 19.59 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' E' ' 14' ' ' THR . 30.4 mtpp -70.44 -53.24 17.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -97.62 -29.42 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 96.47 26.39 10.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.774 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.91 118.33 57.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.8 Cg_exo -56.88 140.43 91.74 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.889 2.393 . . . . 10.0 112.029 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 52.3 Cg_exo -54.63 -32.79 76.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.322 2.681 . . . . 10.0 112.515 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.27 -34.42 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.237 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.19 2.93 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.647 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -94.75 101.71 13.56 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 45.7 ttm-85 -97.3 88.73 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.442 -0.947 . . . . 10.0 108.442 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.417 ' HB3' HD12 ' E' ' 50' ' ' LEU . 78.9 mt -79.47 119.42 22.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.434 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -117.67 135.54 57.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.736 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.46 ' HB3' HD21 ' E' ' 50' ' ' LEU . 81.7 t80 -133.55 111.09 10.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.593 -0.276 . . . . 10.0 110.32 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 36.21 16.56 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.278 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.54 -7.77 79.74 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.987 -0.625 . . . . 10.0 113.708 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -111.62 128.2 55.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.037 0.418 . . . . 10.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.32 143.13 50.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 10.0 110.422 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' E' ' 45' ' ' PHE . 49.1 mt -85.85 107.4 17.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -66.76 141.6 57.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.379 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.73 -43.93 93.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.666 0.988 . . . . 10.0 113.666 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.87 41.44 2.18 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 115.07 0.788 . . . . 10.0 115.07 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' E' ' 59' ' ' TYR . 75.8 mtp180 -144.16 173.17 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.458 0.629 . . . . 10.0 110.449 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.562 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.8 p -104.96 175.04 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 10.0 111.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' HB ' ' E' ' 61' ' ' ILE . 0.9 OUTLIER -70.87 -35.11 72.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 10.0 110.651 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -15.81 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.5 OUTLIER -61.95 -33.35 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.943 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . 0.458 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 24.0 m-85 -106.88 19.36 20.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.454 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 45.91 44.39 11.12 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.259 0.837 . . . . 10.0 113.259 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . 0.527 ' HB ' ' HG ' ' E' ' 56' ' ' LEU . 69.2 mt -75.52 107.11 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -85.42 -173.56 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.689 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 1.0 OUTLIER -66.96 140.05 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.796 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG3' ' HE2' ' E' ' 4' ' ' PHE . 1.0 OUTLIER 58.39 59.19 3.09 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.73 0.644 . . . . 10.0 112.165 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -109.95 141.41 42.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.848 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . 0.548 HG23 ' HD2' ' E' ' 6' ' ' LYS . 10.7 m -78.15 118.84 20.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.758 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . 0.409 HD12 HD12 ' E' ' 3' ' ' ILE . 95.3 mt -111.59 108.6 18.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -74.78 130.73 39.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.612 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.23 117.44 25.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.783 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' E' ' 42' ' ' ARG . 9.7 m -123.72 -179.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.295 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.3 140.04 42.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.947 0.403 . . . . 10.0 111.068 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 73.3 ttt-85 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.59 0.233 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -76.86 114.86 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' B' ' 15' ' ' LEU . 12.0 pt -122.02 145.21 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.335 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -116.44 97.84 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.431 . . . . 10.0 111.293 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.742 ' HB ' HG13 ' B' ' 13' ' ' ILE . 15.0 t -99.77 118.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -110.69 128.41 55.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.083 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -72.8 176.14 5.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.585 -0.279 . . . . 10.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 70' ' ' VAL . 3.2 pp -60.19 -23.59 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -44.15 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 10.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.34 -6.85 1.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.897 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 11' ' ' ARG . 10.9 ttm180 -64.54 123.98 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.776 0.288 . . . . 10.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 125.51 44.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.294 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.742 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.8 pt -110.51 135.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -102.53 135.87 43.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.053 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.456 ' HB2' HD11 ' B' ' 3' ' ' ILE . 2.9 mt -145.86 157.83 43.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.357 . . . . 10.0 110.966 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -101.55 102.25 12.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.72 151.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 10.0 111.528 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.29 151.47 37.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.31 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.92 -31.0 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.573 2.182 . . . . 10.0 112.159 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.36 10.36 12.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.124 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -82.81 131.94 35.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.648 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -78.73 147.36 33.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.693 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' B' ' 50' ' ' LEU . 45.3 mm -56.07 -33.94 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.648 ' HG3' ' HB ' ' B' ' 22' ' ' THR . 0.0 OUTLIER -60.23 -40.88 91.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.742 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.59 -40.0 64.2 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -54.8 -44.7 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.357 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.1 mtmt -66.94 -37.71 84.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -30.47 71.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.389 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -65.74 -45.59 82.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.804 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.83 -34.74 72.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.295 0.569 . . . . 10.0 110.595 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -44.45 10.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.04 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.423 ' HD2' HD21 ' B' ' 15' ' ' LEU . 64.2 tttp -59.57 -56.39 22.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.704 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 127.44 2.0 6.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.243 -0.98 . . . . 10.0 113.04 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.73 119.1 72.23 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.9 Cg_endo -55.42 133.86 60.55 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.921 2.414 . . . . 10.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 33.9 Cg_exo -62.77 -29.04 76.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.206 2.604 . . . . 10.0 112.899 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -72.61 -18.86 61.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 11.1 mt-30 -104.56 1.58 29.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.96 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 78.4 mt-30 -88.37 128.52 35.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.381 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HB3' HG23 ' B' ' 70' ' ' VAL . 11.0 ttt180 -119.16 88.27 2.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.818 0.342 . . . . 10.0 110.643 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 50' ' ' LEU . 21.0 mt -83.56 112.14 19.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.505 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.33 128.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.341 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.8 t80 -131.43 130.5 42.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.688 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.25 21.67 11.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.621 0.576 . . . . 10.0 112.062 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.32 8.07 78.61 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.159 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -122.0 150.93 41.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 10.0 111.471 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.77 135.15 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' B' ' 45' ' ' PHE . 40.0 mt -81.55 115.92 21.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.854 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.54 148.88 42.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.17 -52.36 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.53 25.88 2.36 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 114.979 0.752 . . . . 10.0 114.979 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -120.18 155.22 33.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.425 0.612 . . . . 10.0 110.499 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -102.27 -179.89 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.746 0.308 . . . . 10.0 110.403 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 61' ' ' ILE . 59.2 mt -69.28 -35.26 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 10.0 109.724 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -21.25 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.367 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.4 -42.12 83.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.497 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -95.65 14.68 22.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 t30 63.15 28.23 15.91 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.846 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.0 mt -70.39 120.67 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -116.34 -161.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.41 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.6 ttp-105 -73.96 142.35 45.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.885 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.76 15.22 10.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.507 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -77.58 133.48 38.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.282 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -95.13 132.48 40.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 10.0 112.017 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.72 138.94 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.472 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 82.4 m-70 -101.19 121.32 41.64 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.03 88.13 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.222 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' B' ' 42' ' ' ARG . 16.6 m -93.19 -173.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.656 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 tp -82.53 135.4 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 10.0 110.763 179.658 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.44 ' HG3' ' HB2' ' D' ' 63' ' ' LYS . 26.3 ttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.031 0.443 . . . . 10.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.525 ' HG2' ' HG3' ' D' ' 16' ' ' GLU . 60.2 mt-30 -81.63 120.75 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.282 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.76 157.07 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.89 135.46 54.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 10.0 111.891 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.404 HG22 HD12 ' D' ' 67' ' ' LEU . 43.3 t -122.59 125.19 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -103.24 126.12 50.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.876 0.369 . . . . 10.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 40.1 p -89.83 177.72 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.146 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' D' ' 70' ' ' VAL . 96.2 mt -76.1 -20.5 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.52 . . . . 10.0 110.652 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.18 -10.23 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.74 36.33 7.92 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.954 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -121.54 140.25 52.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.322 . . . . 10.0 110.717 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -108.46 116.25 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.893 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -100.56 135.54 36.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -97.06 117.75 31.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -117.11 149.46 40.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 110.97 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' D' ' 2' ' ' GLN . 3.7 mt-10 -123.43 87.18 2.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.199 0.523 . . . . 10.0 110.449 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -112.29 170.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.861 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.48 151.89 38.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.3 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 31.8 Cg_exo -60.68 -22.19 72.09 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.231 . . . . 10.0 112.231 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -82.96 -9.63 59.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.748 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.74 141.27 42.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.472 . . . . 10.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -83.37 162.94 20.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.226 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.9 -37.79 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 10.0 110.233 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 17.7 pt-20 -62.85 -26.69 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.362 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -73.42 -37.88 65.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.455 . . . . 10.0 109.773 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.24 -40.3 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.087 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -55.69 -41.25 73.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.698 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.31 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.677 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -70.04 -38.32 75.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.26 -38.26 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.169 0.509 . . . . 10.0 109.959 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 50.5 tt0 -70.1 -32.95 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.076 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.49 -42.11 65.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.566 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -85.23 -58.3 2.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -82.23 -41.78 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.001 0.371 . . . . 10.0 112.001 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 102.79 29.83 5.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.209 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -103.52 115.42 63.69 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.3 Cg_exo -56.7 135.23 69.35 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.752 2.302 . . . . 10.0 111.623 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 54.1 Cg_exo -54.31 -28.37 52.58 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.302 2.668 . . . . 10.0 112.756 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -66.1 -32.52 74.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.217 0.532 . . . . 10.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -94.33 3.22 55.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.586 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -95.17 126.35 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.335 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -137.4 100.22 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 69' ' ' LEU . 4.4 mp -96.32 128.64 43.43 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -110.75 134.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.345 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.435 ' CE2' HG12 ' D' ' 61' ' ' ILE . 38.7 t80 -113.44 89.97 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.831 -0.348 . . . . 10.0 111.738 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.472 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 68.38 -22.24 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 10.0 114.263 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.63 -56.76 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.525 -0.63 . . . . 10.0 111.525 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' HE1' ' D' ' 59' ' ' TYR . 5.3 mtt180 -73.12 144.06 47.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.725 0.298 . . . . 10.0 110.346 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.02 139.41 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.477 HD11 HD22 ' D' ' 67' ' ' LEU . 86.2 mt -86.14 115.66 23.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.462 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 30.4 mt-10 -81.87 143.52 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -38.63 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.12 12.68 57.53 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.088 -0.577 . . . . 10.0 114.001 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 34.1 mmt180 -101.22 151.87 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.016 0.408 . . . . 10.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 25.9 p -104.99 178.08 4.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 34.1 mt -66.85 -37.52 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 10.0 110.579 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -22.01 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.792 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.56 -34.09 72.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.014 0.435 . . . . 10.0 110.884 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . 0.528 ' HE1' ' HD2' ' D' ' 48' ' ' ARG . 69.7 m-85 -118.27 6.95 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.269 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.09 39.75 22.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.274 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . 0.435 HG12 ' CE2' ' D' ' 45' ' ' PHE . 53.1 mt -68.7 124.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -107.26 -166.13 1.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.288 0.566 . . . . 10.0 112.291 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.44 ' HB2' ' HG3' ' D' ' 1' ' ' MET . 80.7 tttt -74.28 153.43 39.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.382 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.43 6.26 5.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 28.2 m -68.07 146.92 53.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 10.0 110.466 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -112.08 111.55 22.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.155 0.502 . . . . 10.0 111.713 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . 0.477 HD22 HD11 ' D' ' 50' ' ' LEU . 69.8 mt -91.7 136.16 33.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.294 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -99.61 112.28 24.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.143 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 43' ' ' LEU . 1.4 tt -96.58 96.07 8.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.845 0.355 . . . . 10.0 110.527 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.535 ' HA ' HD21 ' D' ' 8' ' ' LEU . 31.2 m -91.47 175.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.416 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . 0.463 ' HB2' HD11 ' D' ' 8' ' ' LEU . 32.2 tp . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 120.987 0.422 . . . . 10.0 111.873 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.916 0.389 . . . . 10.0 110.565 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -88.86 120.67 30.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.15 152.95 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.116 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.415 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 24.4 m-85 -112.52 113.48 25.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 10.0 111.424 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' E' ' 13' ' ' ILE . 46.5 t -101.64 119.04 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.691 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' E' ' 12' ' ' THR . 95.7 mttt -115.03 133.51 55.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.777 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.0 -170.2 2.36 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.489 HD22 HG12 ' E' ' 70' ' ' VAL . 0.7 OUTLIER -95.32 0.83 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.17 0.509 . . . . 10.0 110.152 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -8.31 36.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.45 -1.39 55.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.21 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.29 152.49 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.753 0.311 . . . . 10.0 110.581 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . 0.409 HG23 ' HG2' ' E' ' 6' ' ' LYS . 21.9 m -139.54 130.0 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.167 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' E' ' 5' ' ' VAL . 8.1 tt -124.15 141.53 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.774 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -100.09 134.1 43.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.953 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . 0.61 HD11 HG12 ' E' ' 30' ' ' ILE . 75.4 mt -128.71 139.03 52.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -101.39 110.69 22.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.919 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.425 HG11 HG22 ' E' ' 26' ' ' VAL . 14.7 m -140.54 179.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.582 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 65.1 mm-40 -110.1 152.23 42.98 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.27 -28.69 87.37 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.424 2.082 . . . . 10.0 112.176 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -83.19 -4.67 58.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.178 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.5 OUTLIER -69.01 150.81 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.843 0.354 . . . . 10.0 110.528 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.7 p -91.6 161.16 15.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.596 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -58.3 -45.1 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.87 -36.27 78.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.795 0.331 . . . . 10.0 110.718 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.35 -39.22 93.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.14 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.542 HG21 HD11 ' E' ' 56' ' ' LEU . 67.9 t -72.14 -35.85 54.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.926 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.29 -37.07 71.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.833 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.63 99.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.291 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -65.87 -33.81 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.427 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . 0.61 HG12 HD11 ' E' ' 15' ' ' LEU . 51.8 mt -66.37 -41.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.504 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.73 -26.8 61.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.517 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -24.26 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -105.83 -56.62 2.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.792 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -78.54 -48.49 15.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.906 0.384 . . . . 10.0 111.423 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.66 -9.86 30.2 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.907 -0.663 . . . . 10.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.54 124.38 88.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.189 -0.301 . . . . 10.0 110.189 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.427 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.0 Cg_exo -60.23 140.2 90.92 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.767 2.311 . . . . 10.0 111.668 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.22 -32.22 79.55 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.316 2.677 . . . . 10.0 112.534 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.52 -23.71 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.44 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -97.77 -3.2 39.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.531 . . . . 10.0 110.185 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 80.1 mt-30 -90.6 124.69 35.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.429 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 10.3 ttm-85 -125.23 102.64 7.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.444 ' HB3' HD12 ' E' ' 50' ' ' LEU . 13.8 mt -81.91 129.19 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.221 0.534 . . . . 10.0 111.931 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.71 124.99 70.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.596 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.629 ' HB3' HD21 ' E' ' 50' ' ' LEU . 51.0 t80 -126.08 118.91 26.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.993 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.38 34.74 15.43 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.686 0.616 . . . . 10.0 111.663 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.59 11.22 85.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.382 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -119.97 134.11 55.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.826 0.313 . . . . 10.0 111.323 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.53 131.49 43.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.519 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.3 mt -88.47 146.23 25.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.039 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -82.39 153.26 25.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.026 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.91 -43.44 62.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.033 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.21 53.02 2.49 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 10.0 114.625 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . 0.429 ' HB2' ' OH ' ' E' ' 59' ' ' TYR . 62.1 mtp180 -140.1 168.94 18.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.963 0.381 . . . . 10.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 66.7 p -101.29 173.68 6.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.825 0.345 . . . . 10.0 111.603 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . 0.542 HD11 HG21 ' E' ' 26' ' ' VAL . 8.1 mp -70.63 -34.16 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.71 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -69.62 -19.95 63.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.273 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.32 -23.31 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.912 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HB2' HG13 ' E' ' 61' ' ' ILE . 22.4 m-85 -113.34 16.89 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 p30 47.51 36.36 5.13 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . 0.45 HG13 ' HB2' ' E' ' 59' ' ' TYR . 80.9 mt -67.59 121.62 17.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.086 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -96.07 -174.59 3.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.75 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 13.1 ttpp -69.77 131.28 44.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.436 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 42.6 mt-10 61.37 46.46 7.66 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.19 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -82.76 162.87 21.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.498 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -95.51 97.6 9.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 10.0 111.207 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.67 120.89 39.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.761 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' E' ' 6' ' ' LYS . 85.0 m-70 -91.78 138.32 31.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.809 0.337 . . . . 10.0 110.719 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.22 121.28 37.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.489 HG12 HD22 ' E' ' 8' ' ' LEU . 28.3 m -126.74 -178.94 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.059 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.07 145.07 46.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.931 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 12.8 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.054 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.032 0.444 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.3 123.88 47.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.721 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -111.51 167.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -111.86 144.39 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 10.0 111.274 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -124.5 117.49 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 42.7 tttm -111.81 137.26 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 10.0 112.349 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.2 p -88.32 -168.74 2.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.987 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -88.19 -20.59 25.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.034 0.445 . . . . 10.0 110.365 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -77.2 -27.74 53.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.433 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 121.46 2.1 10.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.723 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -79.31 130.27 35.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -125.75 115.73 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 10.0 110.842 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 pt -105.38 166.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.349 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -123.28 135.5 54.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.26 147.28 50.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.618 0.247 . . . . 10.0 111.568 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -87.07 126.69 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.96 164.26 28.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.084 0.469 . . . . 10.0 110.976 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 80.9 mm-40 -109.77 153.21 43.13 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.714 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.29 -26.11 80.67 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.61 2.207 . . . . 10.0 111.717 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -98.97 14.12 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.651 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 m-20 -77.1 133.83 38.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.837 0.351 . . . . 10.0 110.677 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -86.03 153.81 21.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.185 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.4 mm -59.19 -34.39 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 10.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.666 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 12.8 pt-20 -62.45 -35.02 77.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.439 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 8.0 t-20 -73.95 -36.58 64.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.33 -42.85 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.629 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.23 -41.19 88.12 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.633 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.752 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -64.99 -39.95 94.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 10.0 110.435 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.02 -37.47 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.997 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -71.94 -28.83 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.97 -37.24 69.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.566 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -95.74 -42.86 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -97.17 -34.68 11.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.12 60.8 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.223 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.82 119.65 62.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 10.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 19.3 Cg_endo -59.86 132.24 43.99 Favored 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 123.131 2.554 . . . . 10.0 112.762 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.2 Cg_exo -57.88 -32.06 94.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.218 2.612 . . . . 10.0 112.651 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.2 -24.26 66.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.548 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 6.2 mt-30 -103.29 4.63 36.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 10.0 110.852 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 71.8 mt-30 -89.48 116.84 27.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -119.04 74.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.04 122.27 19.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.937 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.698 HD12 HG21 ' B' ' 70' ' ' VAL . 31.8 mt -123.21 128.41 74.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.663 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' HD21 ' B' ' 50' ' ' LEU . 58.7 t80 -120.58 135.42 55.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.744 ' HA ' ' CE1' ' D' ' 68' ' ' HIS . . . 68.52 -71.03 0.12 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.768 0.667 . . . . 10.0 111.015 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.55 15.95 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.402 -0.679 . . . . 10.0 111.402 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -130.45 154.9 47.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 10.0 110.691 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' B' ' 44' ' ' ILE . 24.8 tt0 -81.56 138.96 35.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.473 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.423 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.5 mt -85.15 122.46 29.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.073 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -88.04 139.42 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.666 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 4.9 m-20 -57.95 -23.81 55.27 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.11 -2.85 87.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.266 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -104.32 163.98 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.56 -0.376 . . . . 10.0 110.997 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 7.9 p -105.99 173.12 6.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.648 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.44 -39.25 93.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.08 0.467 . . . . 10.0 111.04 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.3 m -75.51 -5.88 47.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -73.52 -31.44 63.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.0 13.69 25.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.159 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 58.79 49.04 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.457 -0.792 . . . . 10.0 112.065 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -91.13 113.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.13 -162.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.888 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -63.26 146.5 53.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.026 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 58.23 45.91 16.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.0 m -108.98 124.89 51.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.848 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -96.36 118.12 32.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.671 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.01 141.88 33.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.548 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 8.7 m-70 -100.53 128.5 46.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.229 0.538 . . . . 10.0 112.07 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -89.51 97.61 11.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.163 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.698 HG21 HD12 ' B' ' 44' ' ' ILE . 84.6 t -77.97 138.87 19.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.611 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.74 130.16 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.87 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.771 0.32 . . . . 10.0 110.731 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -107.23 123.75 48.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.175 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.8 162.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.162 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -110.79 123.17 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.968 0.413 . . . . 10.0 110.403 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.664 ' HB ' HG13 ' D' ' 13' ' ' ILE . 96.5 t -108.73 118.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.55 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -97.63 115.46 27.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.974 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -83.35 171.47 13.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.715 0.293 . . . . 10.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' D' ' 70' ' ' VAL . 80.5 mt -66.83 -21.69 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.103 0.477 . . . . 10.0 111.083 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -9.25 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.764 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.99 21.09 47.59 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.457 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -99.34 134.21 42.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 0.4 OUTLIER -108.69 115.32 29.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.72 0.295 . . . . 10.0 110.996 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.664 HG13 ' HB ' ' D' ' 5' ' ' VAL . 6.2 pt -108.62 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.269 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.85 140.32 39.86 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 15' ' ' LEU . 23.1 mt -128.46 151.3 49.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.54 0.21 . . . . 10.0 111.509 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.93 112.96 26.03 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.032 -1.099 . . . . 10.0 108.032 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.91 178.16 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -123.1 152.1 62.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.7 -31.63 80.7 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.59 2.194 . . . . 10.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -100.81 24.17 9.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.419 . . . . 10.0 111.745 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.58 156.87 24.97 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -102.0 151.32 22.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.906 0.384 . . . . 10.0 111.876 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 43.5 mm -58.27 -39.37 73.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.989 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.91 -34.92 73.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.281 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.02 -34.93 66.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.999 0.428 . . . . 10.0 109.964 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 22' ' ' THR . 56.4 t -61.78 -43.53 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.733 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 93.4 mttt -59.95 -38.29 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.94 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.26 82.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -68.07 -36.02 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.726 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -68.25 -32.42 55.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.319 0.581 . . . . 10.0 109.454 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.6 tt0 -74.12 -33.93 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.247 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -72.66 -37.53 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.274 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -77.08 -71.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.37 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -79.04 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.08 0.467 . . . . 10.0 111.224 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 124.71 19.33 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.195 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 38.2 mt -80.42 127.34 76.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.479 -0.193 . . . . 10.0 110.479 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 36' ' ' ILE . 38.7 Cg_exo -59.04 123.55 13.72 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.868 2.378 . . . . 10.0 111.794 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.503 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 52.9 Cg_exo -57.82 -29.19 85.2 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.333 2.688 . . . . 10.0 112.489 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.1 -27.11 67.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.459 . . . . 10.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -95.91 -7.83 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 78.8 mt-30 -79.72 125.51 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.695 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.459 ' HB3' HG23 ' D' ' 70' ' ' VAL . 9.3 ttp85 -122.83 90.83 3.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' D' ' 50' ' ' LEU . 42.8 mt -73.97 122.81 23.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 10.0 112.807 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' D' ' 68' ' ' HIS . 21.7 mm -114.72 141.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -133.15 101.98 5.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.719 0.295 . . . . 10.0 110.535 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 58.01 52.53 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.462 -0.79 . . . . 10.0 112.307 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 -49.21 3.23 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.747 -0.74 . . . . 10.0 113.742 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' HA ' ' B' ' 70' ' ' VAL . 56.1 mtt180 -84.26 140.85 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.998 0.399 . . . . 10.0 111.724 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . 0.457 ' HG3' HD13 ' D' ' 44' ' ' ILE . 12.1 tt0 -76.23 150.3 37.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.464 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' D' ' 43' ' ' LEU . 86.3 mt -94.15 143.61 26.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.301 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.488 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 85.0 mt-10 -98.43 137.78 36.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.929 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . 0.523 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 4.3 m-20 -59.81 -42.04 92.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.27 39.05 2.61 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.439 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.488 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 39.1 mmt180 -134.54 156.6 48.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 39.9 p -93.6 170.66 9.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.292 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.88 -24.39 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.17 0.51 . . . . 10.0 110.427 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -22.73 42.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.182 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -58.65 -40.77 84.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.462 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -108.9 8.64 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.03 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.8 64.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 10.0 113.533 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -97.84 114.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.76 -1.2 . . . . 10.0 107.76 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -99.51 -151.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.583 ' HE3' ' HG3' ' D' ' 64' ' ' GLU . 12.8 tptt -86.23 143.72 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.807 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' HE3' ' D' ' 63' ' ' LYS . 36.2 mt-10 69.57 7.15 6.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.525 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.2 m -73.39 128.35 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.911 0.386 . . . . 10.0 110.1 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 88.6 m -92.95 130.28 38.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.559 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -96.8 143.28 27.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . 0.758 ' HB2' ' HB ' ' D' ' 44' ' ' ILE . 33.7 m80 -102.39 139.45 37.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.442 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.9 141.7 50.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 10.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.569 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.4 m -134.5 154.86 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.345 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 10.0 111.685 -179.182 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.835 0.35 . . . . 10.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -93.44 120.42 33.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.378 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -103.59 162.04 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.938 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' E' ' 64' ' ' GLU . 67.1 m-85 -121.81 109.14 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.097 0.475 . . . . 10.0 111.275 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.75 128.66 48.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.657 ' HD2' HG23 ' E' ' 66' ' ' THR . 88.7 mttt -123.98 139.22 54.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.054 0.454 . . . . 10.0 111.229 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . 0.503 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 0.9 OUTLIER -94.18 174.59 7.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 13.64 0.26 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -119.4 -4.11 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.492 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -11.16 60.43 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.615 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' E' ' 6' ' ' LYS . 81.8 tttt -59.68 132.91 55.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.599 0.238 . . . . 10.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.03 127.61 49.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.505 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tp -121.98 143.54 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.294 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -98.74 135.47 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' E' ' 29' ' ' LYS . 77.2 mt -136.28 130.07 32.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.637 0.256 . . . . 10.0 111.535 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -90.37 103.71 16.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.725 HG11 HG22 ' E' ' 26' ' ' VAL . 2.6 t -132.38 142.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.343 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.6 146.49 50.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.99 -20.46 67.58 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.894 2.396 . . . . 10.0 113.465 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -10.18 59.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.94 155.25 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.894 0.378 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.55 165.26 13.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.059 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' E' ' 59' ' ' TYR . 44.0 mm -58.99 -39.43 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.544 0.212 . . . . 10.0 111.386 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.97 -36.4 77.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 10.0 110.679 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.89 -38.22 88.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.255 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.725 HG22 HG11 ' E' ' 17' ' ' VAL . 21.5 t -67.99 -35.84 73.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.38 -36.22 83.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.29 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.06 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.574 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.586 ' HD2' HG22 ' E' ' 17' ' ' VAL . 40.9 mttm -67.4 -36.79 81.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.693 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.66 -33.23 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.476 0.655 . . . . 10.0 109.321 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.44 -16.22 62.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.809 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -90.36 -49.67 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.901 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.1 -47.62 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 10.0 111.5 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.2 7.82 34.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.695 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.38 122.67 75.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 110.351 -0.24 . . . . 10.0 110.351 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.7 Cg_exo -60.87 145.15 99.45 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.797 2.331 . . . . 10.0 111.517 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 53.2 Cg_exo -54.78 -30.56 68.03 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.086 2.524 . . . . 10.0 112.724 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.45 -24.43 63.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.023 0.44 . . . . 10.0 110.932 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -95.66 -6.14 40.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.371 0.605 . . . . 10.0 109.554 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -93.27 122.68 35.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.784 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 31.0 ttm180 -130.67 104.17 7.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.74 136.63 37.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.128 0.489 . . . . 10.0 111.753 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -126.27 120.42 56.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.677 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -111.3 108.56 18.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.551 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.28 37.43 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.858 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.59 2.18 87.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.842 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -107.65 115.88 30.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.754 0.311 . . . . 10.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 123.29 20.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.733 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.47 138.67 43.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.756 0.312 . . . . 10.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -88.47 171.47 10.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.637 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -87.48 -49.65 7.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.818 0.342 . . . . 10.0 111.725 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.68 51.17 4.53 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.22 -0.514 . . . . 10.0 113.57 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -145.07 166.37 25.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.0 p -107.39 178.72 4.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.697 0.284 . . . . 10.0 110.916 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.22 -29.85 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 10.0 110.675 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -69.57 -19.51 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.169 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.0 OUTLIER -61.54 -29.43 70.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.658 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HE2' HD11 ' E' ' 23' ' ' ILE . 1.4 m-85 -116.59 20.25 14.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.552 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 p30 46.09 45.16 12.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.202 -0.908 . . . . 10.0 113.413 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -69.94 113.7 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.978 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -97.43 -160.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.821 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -81.52 147.44 29.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.527 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' E' ' 4' ' ' PHE . 3.4 mp0 65.14 29.49 11.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.856 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -82.09 142.9 31.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . 0.657 HG23 ' HD2' ' E' ' 6' ' ' LYS . 23.7 m -103.53 113.44 26.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.66 127.43 48.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.937 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -89.54 130.15 35.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.681 0.277 . . . . 10.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -116.41 120.92 40.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.688 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.26 -175.32 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -91.17 132.14 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 10.0 111.339 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 50.6 ttt180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.91 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.771 0.319 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.59 104.54 15.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.464 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.411 HD12 HD13 ' B' ' 67' ' ' LEU . 37.2 pt -87.28 163.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -110.47 144.56 39.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.869 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.3 t -127.72 121.86 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 9.1 ttmm -112.92 136.59 52.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.909 0.385 . . . . 10.0 111.431 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -86.36 -165.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.091 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.66 -37.27 56.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 10.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.54 32.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.088 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.74 -20.11 0.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.43 -0.89 . . . . 10.0 112.673 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -48.96 122.54 5.9 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.822 0.449 . . . . 10.0 111.662 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.9 m -119.56 113.18 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.534 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -101.92 158.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.926 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.49 141.91 41.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.532 HD11 HG12 ' B' ' 30' ' ' ILE . 32.7 mt -137.09 121.04 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -82.35 103.45 11.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -133.16 167.52 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.124 0.487 . . . . 10.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 81.4 mm-40 -107.68 158.79 32.48 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.35 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.03 -28.51 86.23 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.191 1.927 . . . . 10.0 111.492 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -3.74 48.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.815 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 124.8 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 10.0 110.386 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -76.31 148.15 37.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.945 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.4 mm -53.15 -45.72 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.607 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.771 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 6.3 pt-20 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -75.24 -39.18 60.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 41.3 t -64.95 -35.01 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.2 mttt -59.35 -42.67 92.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.812 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.77 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.329 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -66.61 -40.84 89.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.451 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.532 HG12 HD11 ' B' ' 15' ' ' LEU . 68.9 mt -67.8 -36.3 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.633 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -63.16 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.56 -37.18 71.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -97.37 -40.78 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -91.19 -22.93 20.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.04 83.99 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.82 -0.705 . . . . 10.0 113.411 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -92.97 119.77 67.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.4 Cg_endo -60.61 140.24 90.07 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.983 2.456 . . . . 10.0 112.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.35 -27.83 86.0 Favored 'Trans proline' 0 N--CA 1.477 0.531 0 C-N-CA 123.538 2.825 . . . . 10.0 113.724 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.468 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 4.5 p-10 -69.41 -17.17 63.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.704 0.288 . . . . 10.0 111.662 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -112.35 13.41 20.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.056 0.455 . . . . 10.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -103.14 121.53 42.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 36.2 ttm180 -120.91 112.07 18.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 mt -99.93 116.09 31.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.768 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.74 112.66 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.357 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' D' ' 46' ' ' ALA . 62.2 t80 -110.84 120.06 41.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.778 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.41 16.8 7.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.387 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.78 10.96 48.41 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 48' ' ' ARG . 55.5 mtt180 -119.7 134.14 55.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.641 0.258 . . . . 10.0 110.757 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -80.78 119.37 23.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -75.43 125.84 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.226 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -79.63 143.1 34.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.269 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.771 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 5.5 m-20 -55.07 -39.71 69.55 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.41 15.9 32.53 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.802 -0.713 . . . . 10.0 114.444 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.2 mmt180 -111.8 158.42 19.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.303 0.552 . . . . 10.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 173.97 6.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.07 -40.84 78.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 10.0 110.71 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -17.56 63.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.316 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.1 -36.25 69.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.248 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -94.89 5.43 51.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.5 45.56 6.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.501 0.667 . . . . 10.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.81 103.4 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.426 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -92.09 178.81 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.377 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -64.94 161.62 18.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.025 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.3 31.18 13.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.421 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -116.09 141.45 48.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.824 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.7 m -111.69 140.45 46.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.199 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.411 HD13 HD12 ' B' ' 3' ' ' ILE . 8.1 mp -105.65 146.85 29.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' D' ' 46' ' ' ALA . 30.0 m170 -108.37 127.95 54.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.939 0.4 . . . . 10.0 111.545 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -107.11 125.09 50.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.761 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' B' ' 42' ' ' ARG . 19.8 m -125.85 166.5 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.063 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mp -72.42 115.53 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.446 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.89 0.376 . . . . 10.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.495 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 80.7 mt-30 -103.63 140.88 36.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.293 -0.262 . . . . 10.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.59 164.17 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -122.31 123.88 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.396 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.38 133.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.756 0.312 . . . . 10.0 110.98 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -103.92 103.61 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.105 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.3 p -75.52 172.55 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.472 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.16 -25.97 66.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.939 0.4 . . . . 10.0 110.934 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -13.06 60.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.495 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.17 8.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.59 -0.814 . . . . 10.0 111.636 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -113.2 113.65 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -85.04 103.9 14.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.807 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 pt -104.48 150.46 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.76 129.69 55.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 30' ' ' ILE . 70.6 mt -118.36 152.24 36.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.9 110.36 22.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.101 -1.074 . . . . 10.0 108.101 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.03 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.412 0.625 . . . . 10.0 111.734 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 0.7 OUTLIER -143.32 159.82 53.92 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.201 -0.909 . . . . 10.0 108.676 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.31 -24.0 77.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.122 1.881 . . . . 10.0 111.434 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -1.83 56.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.3 OUTLIER -72.77 144.7 47.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.94 153.19 17.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.406 HD12 HD13 ' D' ' 50' ' ' LEU . 49.2 mm -55.32 -43.07 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 10.0 111.032 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.79 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.496 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -75.89 -39.28 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.087 0.47 . . . . 10.0 110.232 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . 0.551 HG21 HD21 ' D' ' 56' ' ' LEU . 99.5 t -61.95 -41.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.857 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.76 -34.92 75.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.484 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.75 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.872 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.68 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.381 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . 0.564 HG12 HD11 ' D' ' 15' ' ' LEU . 78.6 mt -68.22 -40.05 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.06 -26.97 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.264 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -74.15 -19.63 60.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -104.47 -57.35 2.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -84.32 -54.09 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 10.0 110.907 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.75 3.18 12.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 10.0 112.995 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -74.67 120.3 80.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.724 0.262 . . . . 10.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 46.7 Cg_exo -58.32 133.75 57.02 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.757 2.304 . . . . 10.0 111.941 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 48.7 Cg_exo -57.2 -26.69 71.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.259 2.639 . . . . 10.0 112.696 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.49 -28.59 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.557 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -101.2 9.77 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -98.72 136.76 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.868 0.366 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -133.21 91.14 2.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' D' ' 50' ' ' LEU . 24.8 mt -75.76 126.44 31.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.408 -0.815 . . . . 10.0 113.035 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' D' ' 49' ' ' GLN . 39.8 mm -119.06 127.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.786 ' HB3' HD21 ' D' ' 50' ' ' LEU . 83.7 t80 -130.34 126.71 37.83 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' B' ' 45' ' ' PHE . . . 71.43 -37.5 0.39 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.924 0.765 . . . . 10.0 112.841 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.61 -32.23 0.23 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.162 -0.542 . . . . 10.0 112.188 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' D' ' 48' ' ' ARG . 50.4 mtt180 -95.99 171.27 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 10.0 111.278 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' D' ' 44' ' ' ILE . 7.2 tt0 -85.37 149.08 25.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.435 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' D' ' 45' ' ' PHE . 78.2 mt -94.2 126.83 39.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.583 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.6 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.38 -31.56 61.9 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.735 0.643 . . . . 10.0 112.735 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.84 32.09 4.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 10.0 114.248 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -133.04 158.45 42.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.481 0.64 . . . . 10.0 111.56 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.01 162.35 14.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.007 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.551 HD21 HG21 ' D' ' 26' ' ' VAL . 39.4 mt -65.42 -39.62 92.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.825 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -62.32 -27.07 68.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 10.0 111.559 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.95 -29.2 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.203 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -99.2 8.11 45.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.747 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 57.3 t30 66.05 29.22 10.14 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.244 0.545 . . . . 10.0 111.129 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.37 123.38 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -118.44 -158.49 0.72 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.294 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 44.3 tttt -79.51 135.54 36.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 72.55 18.57 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -74.41 139.02 43.73 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -95.36 126.67 40.83 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' D' ' 43' ' ' LEU . 94.6 mt -109.11 130.04 55.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.566 -0.901 . . . . 10.0 108.566 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -99.96 136.72 39.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.812 0.339 . . . . 10.0 111.481 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 69' ' ' LEU . 14.3 mt -108.24 118.95 38.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.0 173.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.964 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.569 -179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.146 0.498 . . . . 10.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -84.98 127.45 34.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.786 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.48 167.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.199 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.78 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 10.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.23 120.94 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.702 ' HG2' HG23 ' E' ' 12' ' ' THR . 64.3 mttt -112.79 147.14 37.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.207 0.527 . . . . 10.0 111.583 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -116.13 163.42 15.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.525 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -71.2 -15.37 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 10.0 111.507 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -17.69 38.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.977 0.417 . . . . 10.0 111.157 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.0 22.18 9.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.132 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 112.13 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . 0.702 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.8 m -103.33 130.9 50.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -126.61 136.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 10.0 110.903 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -101.75 133.04 47.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.448 . . . . 10.0 109.978 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -138.6 143.37 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.808 0.337 . . . . 10.0 110.699 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -102.78 111.28 23.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.551 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.706 HG11 HG22 ' E' ' 26' ' ' VAL . 0.3 OUTLIER -126.78 179.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . 0.502 ' H ' HG12 ' E' ' 17' ' ' VAL . 80.5 mm-40 -110.4 147.95 37.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 32.7 Cg_exo -60.49 -29.81 89.43 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.483 2.122 . . . . 10.0 111.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 11.03 15.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.918 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.4 OUTLIER -88.32 132.13 34.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 10.0 111.544 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.446 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.2 OUTLIER -74.02 149.96 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.637 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 29.2 mm -52.19 -44.38 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.759 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . 0.896 ' HG3' ' HB3' ' E' ' 52' ' ' ASP . 24.2 mt-10 -60.74 -31.25 70.57 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -78.76 -36.24 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 10.0 109.917 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.706 HG22 HG11 ' E' ' 17' ' ' VAL . 60.2 t -65.66 -41.41 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . 0.546 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 87.8 mttt -60.11 -37.22 79.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.73 96.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.994 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -63.97 -39.14 93.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.771 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.91 -41.87 94.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.941 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.0 -39.38 83.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.792 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.45 -42.28 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.75 -49.74 56.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.75 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.25 -103.0 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.281 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.0 28.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.813 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -108.84 117.18 54.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.8 Cg_exo -60.07 144.02 99.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.873 2.382 . . . . 10.0 112.1 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.546 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 76.1 Cg_exo -53.25 -27.67 39.15 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.398 2.732 . . . . 10.0 112.321 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.77 -27.0 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -102.05 0.5 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.281 0.563 . . . . 10.0 110.286 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -96.27 121.92 38.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.459 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 21.2 ttm180 -119.06 101.8 8.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.14 124.05 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.023 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.09 129.56 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 10.0 109.732 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' E' ' 50' ' ' LEU . 69.9 t80 -129.69 128.44 42.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 22.57 11.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.584 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.44 -6.52 82.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.936 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -107.23 144.86 33.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.651 -0.323 . . . . 10.0 110.992 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.96 138.09 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 10.0 111.102 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.7 mt -93.06 119.85 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.558 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -67.39 129.91 41.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.955 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . 0.896 ' HB3' ' HG3' ' E' ' 24' ' ' GLU . 1.2 m-20 -54.64 -32.55 59.19 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.013 0.745 . . . . 10.0 113.013 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 6.09 70.2 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 114.646 0.618 . . . . 10.0 114.646 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . 0.445 ' O ' HG12 ' E' ' 23' ' ' ILE . 67.8 mtp180 -112.44 164.71 12.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.692 0.746 . . . . 10.0 110.654 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 68.1 p -101.86 178.39 4.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.557 0.218 . . . . 10.0 111.175 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.01 -36.1 81.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.12 0.486 . . . . 10.0 111.021 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -69.07 -19.03 64.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.48 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' E' ' 55' ' ' THR . 3.0 m-20 -66.53 -24.67 66.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 10.0 110.596 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 32.4 m-85 -118.3 20.64 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.001 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p30 48.04 38.19 9.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.944 -1.025 . . . . 10.0 113.745 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.25 115.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.494 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -98.83 -164.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.745 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 38.6 ttpt -71.74 148.52 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.517 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 47.1 mt-10 65.84 24.11 11.35 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 52.1 m -79.23 141.9 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.644 0.259 . . . . 10.0 110.601 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -100.37 107.7 19.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.905 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.39 143.16 29.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -103.0 123.9 47.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 10.0 110.932 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -108.42 120.91 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.601 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.459 HG12 HD22 ' E' ' 8' ' ' LEU . 27.2 m -121.63 176.56 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.832 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.54 141.44 44.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 58.0 ttt180 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.24 111.29 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.718 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 pt -107.38 151.6 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.743 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -115.37 135.49 54.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.25 126.75 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 2.2 tttm -108.05 122.73 47.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.571 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 175.03 8.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.638 0.256 . . . . 10.0 111.522 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.43 ' H ' HD23 ' B' ' 8' ' ' LEU . 1.7 pt? -58.25 -20.55 42.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -38.43 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 10.0 110.66 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.03 -9.63 5.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.347 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.1 ttm180 -62.0 130.64 46.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.63 0.252 . . . . 10.0 110.544 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.21 125.01 51.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 pt -118.91 155.96 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.813 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.76 143.21 39.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.192 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -138.76 157.72 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.912 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.88 113.53 26.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 168.48 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 10.0 111.085 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.62 152.91 44.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.4 -29.8 85.66 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.496 2.131 . . . . 10.0 111.202 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 p -79.09 -0.36 31.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.114 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.88 138.71 36.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 10.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.73 157.37 21.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.53 -36.12 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.62 -25.5 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.238 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -76.35 -39.29 54.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.43 -39.79 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.743 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -57.33 -43.46 83.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.979 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.47 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.288 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.18 -41.79 94.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.465 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -68.67 -34.49 65.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.33 0.586 . . . . 10.0 109.586 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.521 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.0 tt0 -68.22 -32.32 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.248 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.8 -39.66 23.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.024 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -78.09 -63.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.15 -40.3 19.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.049 0.388 . . . . 10.0 112.049 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.57 40.23 3.46 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.181 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 65.3 mt -106.2 126.17 31.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 8.0 Cg_endo -50.81 124.72 14.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.484 2.79 . . . . 10.0 112.312 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.25 -29.96 87.34 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.986 2.457 . . . . 10.0 112.395 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -75.86 -8.04 55.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.628 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -118.73 7.34 11.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.497 . . . . 10.0 110.466 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.8 mt-30 -87.6 106.87 18.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.457 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.422 ' HB3' HG23 ' B' ' 70' ' ' VAL . 5.2 ttt180 -101.48 89.75 3.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.68 116.38 22.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.548 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -111.68 129.41 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.893 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.71 ' HB3' HD21 ' B' ' 50' ' ' LEU . 46.3 t80 -126.29 134.76 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.729 ' HA ' ' CE1' ' D' ' 68' ' ' HIS . . . 70.22 -66.14 0.29 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.855 0.722 . . . . 10.0 110.934 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.73 10.13 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.557 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -139.25 163.84 31.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.313 -0.255 . . . . 10.0 110.313 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.33 155.1 22.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 10.0 110.251 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.9 mt -99.21 142.0 31.26 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -80.0 145.14 32.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.01 -45.12 91.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.43 48.04 3.96 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.015 -0.612 . . . . 10.0 113.567 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -139.72 155.71 47.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.7 176.42 5.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.79 0.328 . . . . 10.0 110.595 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 66.0 mt -71.72 -37.71 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.058 0.456 . . . . 10.0 110.304 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -25.92 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.187 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -66.86 -21.25 66.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.711 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -115.05 13.19 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.751 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.23 29.07 11.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.34 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 78.0 mt -75.19 130.57 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.12 -164.84 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 10.0 111.749 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -74.13 139.26 44.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.977 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 66.14 14.98 9.91 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -77.86 121.2 23.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -86.94 126.62 34.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.43 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.25 156.84 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.442 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 79.8 m-70 -112.73 135.9 52.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.148 0.499 . . . . 10.0 111.907 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -114.47 104.0 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.246 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' B' ' 42' ' ' ARG . 17.4 m -102.39 173.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.39 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.17 146.43 24.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.841 0.353 . . . . 10.0 111.235 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.601 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.949 0.404 . . . . 10.0 110.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.422 ' HB3' HG22 ' D' ' 14' ' ' THR . 39.8 mt-30 -95.61 114.61 26.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.726 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -98.53 152.59 4.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.589 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' D' ' 66' ' ' THR . 98.3 m-85 -112.82 126.07 55.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.37 . . . . 10.0 110.876 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' D' ' 13' ' ' ILE . 46.7 t -118.52 131.62 70.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.341 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -95.59 112.34 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -71.14 178.83 3.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.989 0.423 . . . . 10.0 111.528 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.86 -21.93 63.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 10.0 110.155 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -8.13 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.7 11.25 66.13 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.903 -0.665 . . . . 10.0 111.847 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -82.81 143.48 30.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 10.0 110.275 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -100.87 110.56 22.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.465 ' CG1' ' HB ' ' D' ' 5' ' ' VAL . 47.6 pt -102.05 142.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.724 0.297 . . . . 10.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . 0.422 HG22 ' HB3' ' D' ' 2' ' ' GLN . 2.3 m -109.38 127.22 54.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.136 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' D' ' 29' ' ' LYS . 69.6 mt -128.65 132.81 48.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.673 0.273 . . . . 10.0 111.691 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.6 112.48 24.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -134.65 169.87 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 10.0 111.867 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -105.03 152.63 39.69 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.01 -21.52 73.23 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.295 1.997 . . . . 10.0 111.687 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -90.59 6.2 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.703 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.74 137.12 37.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 10.0 110.868 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . 0.476 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -86.46 165.33 16.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.817 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.581 HG23 ' HE3' ' D' ' 27' ' ' LYS . 0.4 OUTLIER -58.69 -33.1 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.857 0.36 . . . . 10.0 111.336 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . 0.476 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 7.6 pt-20 -62.5 -35.47 79.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.126 0.488 . . . . 10.0 110.517 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -67.92 -37.13 81.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.43 -39.29 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' D' ' 23' ' ' ILE . 98.7 mttt -56.89 -45.44 82.59 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.381 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.74 84.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD22 ' D' ' 15' ' ' LEU . 13.6 mmtt -65.6 -41.7 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.364 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.15 -35.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.213 0.53 . . . . 10.0 110.556 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 59.6 tt0 -73.34 -30.82 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.93 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.45 -24.51 59.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 10.0 112.259 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -104.76 -59.61 1.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . 0.401 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.4 tp10 -84.59 -23.08 29.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 10.0 111.726 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 80.33 25.24 57.55 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.562 -0.827 . . . . 10.0 113.129 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' D' ' 34' ' ' GLU . 73.8 mt -85.22 121.36 73.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.6 Cg_exo -56.11 126.13 21.37 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.859 2.372 . . . . 10.0 111.844 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.475 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 50.0 Cg_exo -55.85 -25.47 52.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.184 2.59 . . . . 10.0 112.647 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.62 -37.17 82.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -97.5 5.46 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.052 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . 0.526 ' OE1' ' HA ' ' D' ' 27' ' ' LYS . 55.5 mt-30 -84.3 112.96 20.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.5 ttp85 -128.72 108.55 10.56 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 67' ' ' LEU . 82.3 mt -97.36 126.94 42.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mm -111.47 128.04 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 10.0 108.801 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.624 ' HB2' HD21 ' D' ' 50' ' ' LEU . 22.2 t80 -106.76 88.57 2.78 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.47 49.5 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.599 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.1 -34.16 5.27 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.828 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.442 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.197 0.498 . . . . 10.0 110.475 -179.52 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . 0.407 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 23.9 tt0 -80.49 141.83 34.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' D' ' 45' ' ' PHE . 44.8 mt -87.4 130.54 34.62 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.334 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 77.4 mt-10 -77.32 164.54 25.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.056 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . 0.451 ' HA ' ' CG2' ' D' ' 23' ' ' ILE . 9.1 t70 -76.43 -44.3 36.46 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.54 47.59 1.91 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.666 -0.778 . . . . 10.0 114.25 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.5 mmt180 -129.8 163.14 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -113.66 163.28 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.619 0.247 . . . . 10.0 111.276 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.588 ' HG ' HD12 ' D' ' 61' ' ' ILE . 6.1 mp -57.22 -34.43 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -64.5 -26.71 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.76 -42.98 69.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 10.0 111.05 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . 0.453 ' HA ' ' HE3' ' B' ' 6' ' ' LYS . 89.5 m-85 -88.73 7.52 33.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.685 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 t30 59.04 47.53 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 10.0 112.332 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . 0.588 HD12 ' HG ' ' D' ' 56' ' ' LEU . 62.2 mt -89.27 122.3 40.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.628 -0.879 . . . . 10.0 108.628 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -126.13 -123.2 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.136 0.493 . . . . 10.0 111.998 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -95.1 134.71 37.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.142 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' D' ' 4' ' ' PHE . 39.2 mt-10 65.46 19.71 11.61 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -67.45 131.78 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.1 m -101.53 125.9 48.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.101 0.477 . . . . 10.0 111.758 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 43' ' ' LEU . 11.5 mt -108.19 134.5 50.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.15 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . 0.729 ' CE1' ' HA ' ' B' ' 46' ' ' ALA . 47.1 m80 -98.81 112.16 24.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.507 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.1 114.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.81 158.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.469 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.015 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . 0.551 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 34.5 ttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.901 0.381 . . . . 10.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 35.7 tt0 -85.91 108.32 18.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 pt -100.0 164.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.164 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' E' ' 66' ' ' THR . 85.5 m-85 -113.62 122.18 46.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.962 0.41 . . . . 10.0 111.542 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.436 HG21 HD12 ' E' ' 15' ' ' LEU . 55.3 t -106.68 122.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.755 -0.832 . . . . 10.0 108.755 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' E' ' 11' ' ' LYS . 97.0 mttt -118.64 148.98 42.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.276 0.56 . . . . 10.0 111.998 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 18.9 p -112.17 177.9 4.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.652 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.576 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.5 t -75.98 -13.67 60.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.915 0.388 . . . . 10.0 111.169 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.3 49.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.556 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' E' ' 6' ' ' LYS . 2.1 tptt -64.51 126.27 27.33 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -118.5 119.14 33.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.16 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 tt -119.46 146.34 24.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -99.8 142.08 31.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . 0.648 HD11 HG12 ' E' ' 30' ' ' ILE . 14.5 mt -134.26 134.55 42.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.463 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -102.1 98.27 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.865 0.364 . . . . 10.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.547 HG12 ' HD2' ' E' ' 29' ' ' LYS . 16.5 m -129.78 175.35 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.479 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -111.26 154.04 43.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.73 -26.99 68.24 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.55 2.167 . . . . 10.0 111.639 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.45 2.12 30.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.797 -0.638 . . . . 10.0 112.033 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 152.04 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.328 . . . . 10.0 110.53 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.2 p -89.32 162.37 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 36.6 mm -62.63 -33.6 60.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.961 0.41 . . . . 10.0 109.927 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.88 -36.41 81.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.224 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -40.06 70.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.553 HG21 HD11 ' E' ' 56' ' ' LEU . 57.4 t -62.94 -41.67 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 77.7 mttt -58.46 -37.94 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.776 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.44 95.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.363 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.547 ' HD2' HG12 ' E' ' 17' ' ' VAL . 24.5 mttm -67.82 -32.98 73.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.866 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . 0.648 HG12 HD11 ' E' ' 15' ' ' LEU . 60.6 mt -65.46 -36.86 78.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -73.5 -32.33 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.844 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.22 -33.55 69.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.577 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -88.09 -45.79 9.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -97.29 -65.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 10.0 111.678 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.92 -13.08 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.062 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 11.7 mt -61.2 124.89 82.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.423 0.289 . . . . 10.0 110.776 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 44.1 Cg_exo -59.01 134.44 59.94 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.691 2.26 . . . . 10.0 111.591 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . 0.654 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 57.7 Cg_exo -53.88 -36.51 83.44 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.592 2.861 . . . . 10.0 113.942 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' E' ' 72' ' ' ARG . 14.0 t70 -74.05 -11.17 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 10.0 111.585 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.5 3.53 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.788 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.3 mt-30 -99.14 135.67 40.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.918 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -127.52 98.71 5.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 74.9 mt -88.02 117.82 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.453 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mt -109.37 126.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.125 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.755 ' HB3' HD21 ' E' ' 50' ' ' LEU . 82.9 t80 -127.13 123.51 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 18.55 10.65 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.838 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -5.64 43.1 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.409 -0.9 . . . . 10.0 113.696 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -124.93 138.96 54.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.09 0.445 . . . . 10.0 111.949 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.32 132.57 45.88 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' E' ' 45' ' ' PHE . 24.0 mt -77.06 127.78 33.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.93 0.395 . . . . 10.0 110.968 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.53 134.11 45.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.816 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . 0.428 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 0.8 OUTLIER -54.12 -46.09 72.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.37 45.62 3.27 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.101 -0.571 . . . . 10.0 113.924 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -146.09 166.17 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 39.3 p -105.44 178.05 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.693 0.282 . . . . 10.0 111.123 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' E' ' 26' ' ' VAL . 8.8 mp -72.47 -39.18 67.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 10.0 110.699 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 6.7 m -65.58 -20.96 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' E' ' 55' ' ' THR . 2.6 m-20 -60.91 -36.27 78.85 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.99 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -104.63 21.57 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.589 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p30 46.69 44.5 13.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.339 -0.846 . . . . 10.0 113.215 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -70.92 116.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.331 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -90.79 179.52 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.092 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.551 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 19.1 ttpp -67.39 139.14 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.406 ' OE2' ' HG2' ' E' ' 63' ' ' LYS . 8.7 mp0 69.41 34.19 2.94 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 59.5 m -84.62 157.15 21.26 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.745 0.307 . . . . 10.0 111.064 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 14.0 m -109.36 129.44 55.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 10.0 111.911 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . 0.425 HD21 HD11 ' E' ' 50' ' ' LEU . 10.6 mt -111.76 131.72 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.923 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.42 112.65 24.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.31 122.92 43.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.115 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.74 170.56 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.64 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.15 122.57 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.527 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' E' ' 39' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.372 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.417 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.53 121.17 27.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.5 pt -114.3 151.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.049 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HB2' HG23 ' B' ' 66' ' ' THR . 64.8 m-85 -107.79 130.93 54.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.7 114.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.966 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.703 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 0.4 OUTLIER -101.38 129.0 47.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.181 -179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.23 -171.93 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.526 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.97 -14.95 63.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.855 0.36 . . . . 10.0 111.491 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.518 ' HB ' ' H ' ' B' ' 10' ' ' GLY . 0.3 OUTLIER -100.48 -132.82 0.27 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.345 179.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.703 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . -110.84 -12.86 15.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.681 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.96 132.87 54.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.509 . . . . 10.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -135.03 116.62 14.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -100.15 169.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.949 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -128.26 136.29 50.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 33' ' ' LYS . 80.9 mt -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.706 0.288 . . . . 10.0 111.011 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.89 122.54 33.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.202 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 m -134.92 175.96 9.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 10.0 111.007 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 38.4 mm-40 -114.06 150.38 43.48 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.4 -34.52 94.63 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.422 2.081 . . . . 10.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -96.54 22.75 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -77.16 136.81 38.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.63 144.49 33.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.382 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.1 mm -56.66 -39.5 63.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 10.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.787 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 3.9 pt-20 -61.81 -34.8 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.85 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -73.1 -39.34 65.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.2 t -62.61 -41.23 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.435 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.4 mttt -58.86 -39.9 82.71 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.103 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.07 89.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.17 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.32 -42.35 95.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.208 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 41.5 mt -70.76 -37.2 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.212 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -64.02 -43.84 94.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.525 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.75 -32.97 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.451 . . . . 10.0 110.936 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' B' ' 15' ' ' LEU . 60.4 tttp -76.25 -53.57 8.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.821 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.6 -72.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.84 -1.27 1.08 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.544 -0.836 . . . . 10.0 113.142 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -83.02 123.58 77.48 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 20.9 Cg_endo -59.91 145.85 97.27 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.882 2.388 . . . . 10.0 112.489 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.9 Cg_exo -59.1 -27.18 84.29 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.389 2.726 . . . . 10.0 113.271 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -18.05 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 10.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -105.56 3.39 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.39 . . . . 10.0 110.727 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.88 109.69 21.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.669 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 35.0 ttm180 -97.95 92.49 5.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.517 ' HB3' HD12 ' B' ' 50' ' ' LEU . 43.2 mt -82.16 112.69 19.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.011 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.413 HD11 ' HD3' ' B' ' 42' ' ' ARG . 69.1 mt -118.24 123.61 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.533 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -126.66 111.69 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.732 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.34 23.31 10.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.668 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.46 -5.51 77.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.538 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 54.3 mtt-85 -105.85 135.91 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.08 137.04 38.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.416 . . . . 10.0 110.61 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' B' ' 43' ' ' LEU . 49.3 mt -88.73 105.09 17.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.828 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.02 140.87 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.908 0.385 . . . . 10.0 111.283 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 6.8 m-20 -55.78 -37.41 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 10.0 112.46 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.01 11.39 11.57 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 114.513 0.565 . . . . 10.0 114.513 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -120.81 159.06 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.196 0.498 . . . . 10.0 110.45 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 p -103.46 169.62 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.346 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.9 mt -60.65 -28.74 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.009 0.433 . . . . 10.0 111.836 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -19.74 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.62 -28.06 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 10.0 111.545 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.0 17.1 19.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.897 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 56.62 48.64 16.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.683 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.92 126.89 43.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.31 -162.45 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.904 0.383 . . . . 10.0 110.606 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 63' ' ' ARG . 22.7 ttp180 -74.61 152.87 39.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.07 0.26 3.34 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.506 0.504 . . . . 10.0 112.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -77.11 132.48 38.88 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.213 0.53 . . . . 10.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.443 HG23 ' HB2' ' B' ' 4' ' ' PHE . 4.2 m -101.42 134.7 44.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.859 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.411 HD23 HD11 ' B' ' 50' ' ' LEU . 4.6 mp -117.9 150.82 38.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -106.05 131.48 53.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.148 0.499 . . . . 10.0 112.152 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 tp -106.74 97.58 7.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.217 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.74 163.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.871 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.18 139.03 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 5.1 ttt180 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.17 0.51 . . . . 10.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' D' ' 16' ' ' GLU . 98.3 mt-30 -81.53 138.21 35.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.324 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -122.82 164.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.134 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.77 131.6 56.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.383 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.83 127.82 75.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 10.0 110.561 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -94.58 124.83 38.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.084 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -77.02 179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -72.93 -18.83 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 10.0 110.022 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -30.06 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.659 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.45 -5.01 10.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 135.72 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 10.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -105.45 101.99 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.964 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -92.4 141.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.897 0.38 . . . . 10.0 111.204 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.56 135.28 46.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.111 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' D' ' 29' ' ' LYS . 3.4 mt -147.49 140.64 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.925 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' D' ' 2' ' ' GLN . 1.3 tp10 -93.73 128.82 40.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.76 -177.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.066 0.46 . . . . 10.0 110.936 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 2.3 tm-20 -130.94 142.88 47.19 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . 0.641 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 85.4 Cg_exo -48.59 -32.12 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.603 2.202 . . . . 10.0 112.684 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.27 3.39 27.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -76.94 134.41 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 10.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.47 153.0 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.065 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' D' ' 23' ' ' ILE . 26.2 mm -54.9 -37.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 10.0 111.602 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.361 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -68.7 -38.18 80.09 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -42.56 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.631 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.1 -40.09 92.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.709 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.14 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.749 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' D' ' 15' ' ' LEU . 95.9 mttt -64.49 -37.23 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.439 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.42 -35.14 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.285 0.564 . . . . 10.0 109.748 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.464 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 31.3 tt0 -69.05 -21.75 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.415 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.98 -33.68 22.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.402 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -89.03 -50.76 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -96.18 -44.72 7.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 10.0 110.986 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 101.04 21.98 11.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.445 -0.883 . . . . 10.0 112.947 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -81.97 125.62 77.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 69.8 Cg_exo -54.03 124.44 15.94 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.885 2.39 . . . . 10.0 111.653 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 52.6 Cg_exo -56.31 -26.05 59.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.204 2.603 . . . . 10.0 112.335 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.02 -39.34 93.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.453 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.66 24.6 5.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.998 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -106.52 115.82 30.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.978 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' D' ' 70' ' ' VAL . 35.2 ttp85 -122.29 110.78 16.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.419 HD12 HG23 ' D' ' 23' ' ' ILE . 97.1 mt -91.73 123.25 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.01 120.13 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.803 ' HB3' HD21 ' D' ' 50' ' ' LEU . 79.3 t80 -115.09 113.17 23.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.746 0.308 . . . . 10.0 111.388 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.68 15.34 8.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.49 19.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.467 -0.873 . . . . 10.0 113.565 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 138.13 36.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 10.0 111.792 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' D' ' 45' ' ' PHE . 23.3 mt -95.68 133.16 40.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 39.4 mt-10 -78.07 141.67 38.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.04 -48.83 75.25 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.45 57.45 4.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.458 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.3 mmt180 -141.84 157.04 45.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -103.23 173.89 6.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 39.4 mt -71.47 -29.83 65.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.004 0.43 . . . . 10.0 110.825 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -24.26 65.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.075 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.71 -38.87 89.46 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.456 0.646 . . . . 10.0 110.052 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.52 8.91 37.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.114 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 56.1 44.1 25.82 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.484 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' D' ' 56' ' ' LEU . 69.3 mt -77.8 119.53 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.34 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -103.4 -168.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 86.4 tttt -74.35 145.0 44.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.063 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 7.6 mt-10 78.22 1.57 2.72 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.927 0.767 . . . . 10.0 113.058 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -59.35 123.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 10.0 110.482 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -93.91 109.33 21.05 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.607 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -97.71 147.88 23.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.9 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -108.97 122.67 47.74 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.051 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 112.29 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.5 m -104.69 -175.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.154 0.502 . . . . 10.0 111.569 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.625 -179.498 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . 0.573 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 23.1 ttp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.064 0.459 . . . . 10.0 110.429 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 32.7 tt0 -76.52 114.5 15.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.828 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.524 HD11 HD21 ' E' ' 56' ' ' LEU . 1.0 OUTLIER -99.66 159.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.989 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -109.21 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.9 122.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' E' ' 12' ' ' THR . 91.4 mttt -122.15 145.86 47.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 10.0 111.788 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -106.71 176.5 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.673 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.618 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.4 OUTLIER -69.72 -20.48 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -84.62 -8.59 58.83 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.952 0.406 . . . . 10.0 111.474 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.68 56.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.089 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -67.57 123.66 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 11.2 m -117.1 129.65 56.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.866 0.365 . . . . 10.0 111.437 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -123.97 135.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -98.93 135.71 39.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.056 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' E' ' 2' ' ' GLN . 4.8 mp -137.33 131.89 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -89.13 96.73 10.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.765 HG13 ' HE3' ' E' ' 29' ' ' LYS . 21.9 t -111.27 149.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.887 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 55.2 mm-40 -85.32 145.81 43.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.87 -26.67 82.98 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.801 2.334 . . . . 10.0 112.279 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -87.21 -0.8 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.902 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 19.5 m-20 -77.49 144.19 37.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 10.0 110.827 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 15.3 p -89.64 170.03 10.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . 0.837 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 28.8 mm -58.8 -36.59 61.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.845 0.355 . . . . 10.0 110.367 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . 0.48 ' H ' ' HG3' ' E' ' 24' ' ' GLU . 0.8 OUTLIER -59.34 -37.73 78.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.948 179.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 19.8 m-20 -69.52 -41.78 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.5 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.554 HG22 HG11 ' E' ' 17' ' ' VAL . 38.2 t -63.44 -47.15 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.87 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -60.2 -39.68 87.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.831 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.69 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.585 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.765 ' HE3' HG13 ' E' ' 17' ' ' VAL . 23.6 mttm -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.543 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.88 -33.7 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.185 0.517 . . . . 10.0 110.457 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 62.5 tt0 -71.49 -22.12 61.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.539 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -87.0 -47.06 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.094 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -73.84 -50.8 18.66 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.81 -40.93 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 109.05 -1.98 31.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.452 -0.88 . . . . 10.0 112.869 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.45 122.16 86.36 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.7 Cg_exo -61.21 144.28 98.81 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.679 2.253 . . . . 10.0 111.252 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.73 -33.54 96.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.028 2.485 . . . . 10.0 112.003 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.04 -17.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.765 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -103.82 4.24 34.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 10.0 110.055 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.4 mt-30 -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.869 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . 0.444 ' HB3' HG23 ' E' ' 70' ' ' VAL . 37.1 ttm180 -127.73 109.18 11.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.004 -1.11 . . . . 10.0 108.004 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' E' ' 50' ' ' LEU . 53.9 mt -91.01 123.54 34.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.085 0.469 . . . . 10.0 111.835 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.61 128.61 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.677 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.853 ' HB3' HD21 ' E' ' 50' ' ' LEU . 78.8 t80 -136.08 120.65 18.25 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.54 16.92 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.762 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.95 -5.21 68.7 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -104.54 147.23 27.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.671 0.272 . . . . 10.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.04 126.25 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' E' ' 45' ' ' PHE . 38.0 mt -81.03 110.71 16.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.812 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.99 135.65 52.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . 0.837 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 3.5 m-20 -56.21 -42.45 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.94 38.21 1.74 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.851 0.7 . . . . 10.0 114.851 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -141.09 157.8 44.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.317 0.559 . . . . 10.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 68.6 p -93.0 -178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . 0.524 HD21 HD11 ' E' ' 3' ' ' ILE . 7.2 mp -69.88 -41.94 74.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -66.22 -21.59 66.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.8 OUTLIER -60.68 -34.21 73.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.011 0.434 . . . . 10.0 110.763 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -109.99 18.94 19.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.041 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p30 47.59 38.62 8.38 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 53.4 mt -73.53 120.77 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.635 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -98.24 -177.59 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.763 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.573 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 17.0 ttpp -73.57 139.95 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 73.69 17.94 3.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.75 0.656 . . . . 10.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 26.9 m -81.81 160.9 23.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.355 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 32.6 m -103.78 126.78 51.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.161 0.505 . . . . 10.0 112.159 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 73.9 mt -109.51 123.11 48.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.39 114.79 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.831 0.348 . . . . 10.0 110.875 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' E' ' 41' ' ' GLN . 36.7 tp -108.23 122.42 46.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.79 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' E' ' 42' ' ' ARG . 16.7 m -120.61 175.84 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.33 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tt -83.36 124.9 31.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 10.0 111.032 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.196 179.681 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.685 0.278 . . . . 10.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -85.83 130.62 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -122.39 159.63 25.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.54 126.88 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.766 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -116.32 123.08 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' B' ' 12' ' ' THR . 34.8 mttm -104.2 141.84 35.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.831 0.348 . . . . 10.0 111.428 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -177.94 4.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.01 -12.61 52.3 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -92.53 -24.9 18.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.19 0.519 . . . . 10.0 110.463 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.33 -9.61 26.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.599 -0.81 . . . . 10.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 25.3 ttm180 -58.41 133.17 55.52 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HG3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -110.33 118.96 37.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.515 -178.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.01 143.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.961 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -95.39 142.66 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -141.22 148.97 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.179 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.13 114.93 29.36 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.21 169.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.878 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.7 mm-40 -110.33 154.41 42.94 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.399 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.57 -28.14 86.7 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.129 1.886 . . . . 10.0 111.255 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.94 5.67 43.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.567 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 4.6 m-20 -72.22 134.13 45.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 10.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 146.91 29.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.026 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -53.68 -41.09 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.55 -34.86 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 29.2 t-20 -73.11 -36.22 66.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.99 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.32 -41.43 96.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.12 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.65 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.673 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -62.54 -37.34 85.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.927 0.394 . . . . 10.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.49 HD13 HD22 ' B' ' 69' ' ' LEU . 69.7 mt -73.14 -34.72 45.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.322 0.582 . . . . 10.0 109.705 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.467 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 10.5 tt0 -68.46 -31.38 70.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.542 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -26.09 45.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.703 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -92.69 -61.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 10.0 111.727 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -86.02 -38.5 17.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.664 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 101.42 21.4 11.58 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.445 -0.884 . . . . 10.0 112.629 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -87.0 121.6 71.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 63.4 Cg_exo -55.08 133.88 60.6 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.031 2.488 . . . . 10.0 111.84 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.34 -31.53 91.28 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 10.0 113.01 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 15.7 p-10 -79.18 -14.79 58.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.4 0.96 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.483 0.659 . . . . 10.0 109.503 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -94.24 127.03 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.522 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.556 ' HD2' HG23 ' B' ' 70' ' ' VAL . 12.1 ttm180 -116.8 89.23 3.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.95 121.77 23.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.493 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.84 131.61 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.277 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' B' ' 50' ' ' LEU . 71.2 t80 -123.56 118.36 27.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.774 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.709 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 69.34 -40.6 0.46 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.76 -3.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 153.68 21.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -91.21 133.25 35.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 45' ' ' PHE . 25.9 mt -81.33 134.22 35.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.686 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -83.48 138.59 33.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.568 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.64 -46.53 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.672 -0.695 . . . . 10.0 112.737 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 30.75 3.17 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.985 -0.626 . . . . 10.0 114.12 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.3 mmt180 -124.81 163.79 21.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.418 -0.46 . . . . 10.0 110.644 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 p -107.68 169.78 8.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.709 0.29 . . . . 10.0 111.091 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.439 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 71.1 mt -65.42 -33.44 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 10.0 111.035 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -25.82 67.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.669 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.96 -35.71 81.57 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.267 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -101.72 6.13 41.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.993 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.75 42.53 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.37 -0.832 . . . . 10.0 111.989 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.1 mt -81.82 126.58 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.67 -0.863 . . . . 10.0 108.67 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -112.29 -168.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -68.93 140.3 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.098 -0.955 . . . . 10.0 112.015 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.58 15.21 8.7 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.26 116.53 17.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -81.15 122.12 26.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.028 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -114.56 160.83 18.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.634 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 18.1 m170 -114.4 126.35 54.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.49 HD22 HD13 ' B' ' 30' ' ' ILE . 54.1 tp -106.49 94.47 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.149 -0.932 . . . . 10.0 108.972 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' B' ' 42' ' ' ARG . 3.4 m -90.98 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.289 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 tp -77.53 120.19 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 67.2 ttt180 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.945 0.402 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.34 140.27 33.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.679 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -115.05 162.51 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.888 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.93 121.33 43.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 10.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.53 HG21 HD12 ' D' ' 15' ' ' LEU . 87.4 t -102.36 110.61 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.792 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -92.15 112.33 24.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 60.8 p -80.29 -179.1 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 10.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.97 -32.0 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.775 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -17.67 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.621 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -7.82 45.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.58 134.19 49.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 1.5 m -117.43 110.16 17.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.891 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.468 HG13 ' HB ' ' D' ' 5' ' ' VAL . 32.8 pt -103.81 155.13 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 135.94 44.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.505 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.53 HD12 HG21 ' D' ' 5' ' ' VAL . 32.1 mt -131.4 133.48 45.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -82.9 123.44 29.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -134.48 177.66 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.161 0.505 . . . . 10.0 111.747 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 19.5 mm-40 -127.59 158.2 70.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.147 -0.933 . . . . 10.0 108.934 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.46 -27.37 82.27 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.195 1.93 . . . . 10.0 111.02 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -4.11 59.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.788 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.7 OUTLIER -67.0 137.89 56.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.782 0.325 . . . . 10.0 110.73 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -95.31 158.25 15.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ILE . . . . . 0.444 HG23 HD12 ' D' ' 43' ' ' LEU . 28.9 mm -56.8 -38.71 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.79 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.0 -45.79 91.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' D' ' 29' ' ' LYS . 32.4 t30 -64.95 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.416 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.29 -46.2 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.37 -39.37 83.09 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.428 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.593 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' D' ' 25' ' ' ASN . 87.1 mttt -67.06 -36.32 81.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.142 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.99 -38.44 79.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.111 0.481 . . . . 10.0 109.837 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' GLN . . . . . 0.426 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 61.9 tt0 -69.29 -25.82 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.294 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.4 -23.14 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.408 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -105.44 -55.52 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' GLU . . . . . 0.453 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.1 tp10 -93.38 -12.28 30.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 71.43 28.65 69.3 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.596 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' D' ' 34' ' ' GLU . 61.0 mt -88.7 119.91 70.08 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 43.3 Cg_exo -58.52 127.04 23.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.862 2.374 . . . . 10.0 111.894 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 36.3 Cg_exo -59.29 -23.89 71.84 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.364 2.709 . . . . 10.0 112.08 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.19 -40.22 89.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.274 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -95.38 -0.59 52.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.422 . . . . 10.0 110.981 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.35 135.06 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.224 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' D' ' 42' ' ' ARG . 13.4 ttp85 -143.26 108.72 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.636 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' D' ' 50' ' ' LEU . 73.3 mt -85.29 128.71 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 10.0 112.319 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -120.0 131.91 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD21 ' D' ' 50' ' ' LEU . 7.9 t80 -134.87 117.6 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.433 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.709 ' HA ' ' H ' ' B' ' 46' ' ' ALA . . . 60.08 25.52 14.8 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.703 0.627 . . . . 10.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.81 -29.13 11.02 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.745 -0.741 . . . . 10.0 113.44 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' ARG . . . . . 0.634 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -82.6 137.51 34.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.027 0.413 . . . . 10.0 110.564 -179.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -79.47 124.49 28.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.087 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' D' ' 45' ' ' PHE . 19.1 mt -77.8 127.01 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.433 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' GLU . . . . . 0.41 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 29.7 mt-10 -73.23 143.71 47.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.755 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.54 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.908 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 56.12 5.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' ARG . . . . . 0.41 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 30.6 mmt180 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.743 0.306 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -101.05 167.28 10.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.784 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.503 ' HG ' HD12 ' D' ' 61' ' ' ILE . 5.5 mp -64.69 -32.38 74.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 10.0 110.647 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -67.72 -24.67 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.427 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -67.08 -41.76 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 10.0 110.758 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.11 10.28 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.984 -0.553 . . . . 10.0 112.096 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 60' ' ' ASN . . . . . 0.487 ' ND2' HE21 ' D' ' 62' ' ' GLN . 5.9 t30 54.68 41.37 31.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.316 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 61' ' ' ILE . . . . . 0.503 HD12 ' HG ' ' D' ' 56' ' ' LEU . 54.0 mt -75.02 118.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 10.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.487 HE21 ' ND2' ' D' ' 60' ' ' ASN . 73.1 mm-40 -101.74 -175.69 2.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.726 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 63' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 71.8 tttt -71.69 141.28 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.407 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 74.6 mt-10 78.56 1.99 2.6 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.148 0.795 . . . . 10.0 113.148 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -68.18 139.53 56.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 10.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -104.2 124.44 49.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.258 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.9 134.64 46.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.577 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -96.8 128.44 43.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 10.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.3 114.57 28.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.69 168.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.201 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 39.7 tp . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.974 0.416 . . . . 10.0 111.517 -179.232 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.0 ttp . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.847 0.356 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -87.9 132.07 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.038 0.447 . . . . 10.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -118.8 163.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.989 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' E' ' 66' ' ' THR . 50.8 m-85 -120.09 112.85 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.752 0.31 . . . . 10.0 110.92 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.26 119.97 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.138 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -107.17 171.55 7.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 10.0 111.152 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -136.42 169.82 17.06 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' LEU . . . . . 0.416 HD23 HG12 ' E' ' 70' ' ' VAL . 2.5 pp -73.04 -4.64 33.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 10.0 111.45 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -97.69 -4.7 36.76 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.123 0.487 . . . . 10.0 110.259 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -22.21 41.16 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.275 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -56.81 131.82 50.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.158 0.504 . . . . 10.0 112.088 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -122.82 122.91 39.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.57 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -115.0 137.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.014 0.435 . . . . 10.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.29 137.89 32.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.012 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -143.46 149.5 37.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.593 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -106.92 110.7 22.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' VAL . . . . . 0.565 HG11 HG22 ' E' ' 26' ' ' VAL . 15.9 t -131.26 140.58 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.533 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.66 147.01 70.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.05 -27.88 86.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.605 2.203 . . . . 10.0 112.736 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.42 6.67 47.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.8 146.72 35.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.68 0.276 . . . . 10.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' THR . . . . . 0.48 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -86.49 152.42 22.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.144 -179.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 42.8 mm -55.34 -36.7 41.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.964 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' E' ' 52' ' ' ASP . 23.9 mt-10 -60.12 -38.08 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.233 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -77.57 -24.34 49.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.225 0.536 . . . . 10.0 110.137 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' VAL . . . . . 0.565 HG22 HG11 ' E' ' 17' ' ' VAL . 60.3 t -72.87 -40.89 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -61.02 -38.67 86.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.433 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.02 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.052 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' E' ' 17' ' ' VAL . 24.5 mtmm -72.34 -37.96 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.021 0.439 . . . . 10.0 110.56 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.21 -31.61 50.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.405 0.621 . . . . 10.0 109.94 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' GLN . . . . . 0.556 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 65.4 tt0 -74.6 -20.9 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.964 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.69 -47.58 11.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.506 . . . . 10.0 109.92 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.7 -78.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.82 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.98 -41.2 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.988 0.366 . . . . 10.0 111.988 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 105.76 9.89 31.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.537 -0.839 . . . . 10.0 112.385 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.04 119.42 77.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.1 140.22 82.82 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.809 2.34 . . . . 10.0 112.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.64 -25.2 66.51 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.191 2.594 . . . . 10.0 112.054 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.49 -27.41 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.088 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -108.48 8.92 27.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -93.77 126.24 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.987 0.365 . . . . 10.0 111.987 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -138.34 104.26 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.462 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 67' ' ' LEU . 15.5 mt -95.36 135.02 37.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 10.0 112.006 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.09 124.6 69.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.293 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -118.34 106.66 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.94 32.68 19.97 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -16.66 60.67 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.746 0.308 . . . . 10.0 111.202 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -69.88 138.84 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 50' ' ' LEU . . . . . 0.49 HD11 HD21 ' E' ' 67' ' ' LEU . 20.2 mt -86.89 124.27 32.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.984 0.421 . . . . 10.0 111.753 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.12 140.04 29.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.98 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 1.4 m-20 -58.6 -30.76 67.46 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.72 8.6 48.46 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.908 1.123 . . . . 10.0 115.908 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 54' ' ' ARG . . . . . 0.431 ' HE ' ' HB3' ' E' ' 58' ' ' ASP . 19.6 mtp180 -123.42 168.23 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.063 0.932 . . . . 10.0 112.099 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -107.46 173.12 6.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.682 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -35.52 74.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.002 0.43 . . . . 10.0 111.273 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -67.3 -24.24 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.368 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB3' ' HE ' ' E' ' 54' ' ' ARG . 52.4 m-20 -75.04 -4.18 36.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.416 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 59' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' E' ' 54' ' ' ARG . 58.8 m-85 -127.82 15.13 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 p30 47.75 36.58 5.89 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.72 1.007 . . . . 10.0 113.72 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 61' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' E' ' 65' ' ' SER . 19.5 mt -74.92 129.66 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.965 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -105.96 -169.22 1.55 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.95 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 63' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 24.1 ttpp -74.19 135.79 42.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 64' ' ' GLU . . . . . 0.489 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 22.9 mt-10 69.1 10.55 7.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 65' ' ' SER . . . . . 0.423 ' HB2' HG23 ' E' ' 61' ' ' ILE . 69.5 m -64.19 135.61 56.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.727 0.299 . . . . 10.0 110.311 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 6.8 m -87.93 130.38 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.514 . . . . 10.0 112.327 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 67' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 43' ' ' LEU . 2.1 mt -117.77 151.79 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.413 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -111.21 120.1 41.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.657 0.265 . . . . 10.0 110.56 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -104.14 113.06 26.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.077 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 70' ' ' VAL . . . . . 0.416 HG12 HD23 ' E' ' 8' ' ' LEU . 30.0 m -112.52 -177.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 tp -82.23 131.23 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 120.967 0.413 . . . . 10.0 111.237 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.729 ' HB2' ' HG3' ' B' ' 63' ' ' ARG . 20.4 ptt? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.863 0.363 . . . . 10.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -89.91 136.9 32.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.38 151.56 31.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.835 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -103.83 134.24 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.581 0.229 . . . . 10.0 110.483 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' HG13 ' B' ' 13' ' ' ILE . 36.1 t -118.06 112.26 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.63 140.03 30.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.873 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.0 p -87.67 -102.5 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -143.53 -47.29 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -69.2 -47.53 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -21.96 0.2 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.4 -0.905 . . . . 10.0 112.711 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -56.74 121.48 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 10.0 111.01 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -120.51 122.02 39.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.874 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.538 HG13 ' HB ' ' B' ' 5' ' ' VAL . 29.3 pt -102.1 150.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.11 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -117.81 124.19 47.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.82 0.343 . . . . 10.0 110.699 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.9 mt -126.88 139.96 52.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.654 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -92.41 129.0 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.73 171.76 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 53.7 mm-40 -97.7 155.17 37.49 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.81 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.07 -35.53 98.95 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.498 2.132 . . . . 10.0 112.497 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.11 21.49 10.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.4 m-20 -74.08 132.21 42.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -79.58 149.48 31.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.383 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.3 mm -56.27 -38.73 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.257 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 11.7 pt-20 -63.96 -27.81 69.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 10.0 111.097 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -77.93 -40.59 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.52 -41.8 91.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.251 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.619 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 97.0 mttt -60.45 -36.31 77.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.755 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.23 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.62 -35.84 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.236 0.541 . . . . 10.0 109.71 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.55 -32.54 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.843 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 44.0 tt0 -69.94 -29.15 66.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.306 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -54.69 6.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.729 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -76.13 -60.94 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -73.45 -33.53 64.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.05 35.82 14.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.349 -0.929 . . . . 10.0 112.246 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.23 123.36 37.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.7 Cg_endo -55.83 126.78 23.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 10.0 112.288 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.619 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 42.5 Cg_exo -59.11 -28.15 87.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.462 2.775 . . . . 10.0 112.437 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -69.25 -19.59 63.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -109.47 8.23 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.578 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.0 117.3 29.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -111.21 99.47 8.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.8 121.47 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.834 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.467 HG22 ' HA3' ' D' ' 47' ' ' GLY . 54.5 mt -120.21 138.48 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.634 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' D' ' 46' ' ' ALA . 29.1 t80 -153.95 136.64 15.22 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.65 4.42 3.37 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA2' ' HA2' ' D' ' 47' ' ' GLY . . . 102.4 1.08 50.47 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 48' ' ' ARG . 62.8 mtt180 -123.13 159.2 29.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.713 0.292 . . . . 10.0 111.014 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -88.7 144.72 26.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.611 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.3 mt -94.69 118.73 32.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.513 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 71.8 mm-40 -75.74 140.4 42.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.385 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.7 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 1.8 m-20 -53.83 -44.16 70.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.822 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.07 9.72 37.74 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 114.782 0.673 . . . . 10.0 114.782 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 40.5 mmt180 -104.47 155.16 19.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.497 0.649 . . . . 10.0 110.166 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.0 p -98.97 166.09 11.44 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 21' ' ' ASP . 53.6 mt -64.04 -29.59 70.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.18 0.514 . . . . 10.0 110.409 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -23.44 61.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.901 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -66.54 -37.14 84.35 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.134 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -97.13 -3.17 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.401 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 t30 64.48 57.0 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.64 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mt -94.45 132.83 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.383 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -102.09 174.66 5.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.966 0.412 . . . . 10.0 111.836 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' B' ' 1' ' ' MET . 20.4 ttp-105 -68.2 144.04 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.888 -0.596 . . . . 10.0 111.314 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 66.97 44.62 1.95 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.795 0.684 . . . . 10.0 112.798 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -107.56 137.31 45.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.628 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 6.6 m -98.44 119.36 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 10.0 110.641 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -109.47 156.96 19.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.766 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.784 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 63.5 m-70 -102.69 128.79 49.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.878 0.371 . . . . 10.0 111.433 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.26 109.3 21.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.868 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.03 159.37 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.155 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.5 tp -84.02 134.34 34.63 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -106.16 87.28 2.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.875 0.369 . . . . 10.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 23.9 tp -88.28 141.86 28.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.178 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -114.42 98.58 6.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.976 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.8 -108.74 3.24 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.31 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.685 ' HA3' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.2 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.404 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.753 0.311 . . . . 10.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.841 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 57.7 mt-30 -109.46 128.88 55.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.262 -0.427 . . . . 10.0 110.508 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -112.82 155.99 13.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.424 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' D' ' 64' ' ' GLU . 84.1 m-85 -115.81 117.38 30.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.84 125.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.812 0.339 . . . . 10.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' D' ' 69' ' ' LEU . 5.7 mmtm -92.55 113.66 25.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.291 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . 0.491 ' HA ' HD23 ' D' ' 69' ' ' LEU . 70.6 p -74.87 176.43 7.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.381 . . . . 10.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.77 -20.84 61.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.201 0.524 . . . . 10.0 110.223 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.74 -10.75 58.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.993 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.1 19.71 38.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.863 -0.684 . . . . 10.0 111.479 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.2 128.05 43.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.49 101.12 12.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.205 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 35.7 pt -90.82 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.347 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.98 126.92 51.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.695 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.574 HD11 HG12 ' D' ' 30' ' ' ILE . 58.1 mt -121.29 157.69 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.863 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -126.63 110.6 13.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.205 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . 0.511 HG11 HG22 ' D' ' 26' ' ' VAL . 16.8 m -140.43 -176.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.965 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 6.4 mm-40 -107.86 154.64 40.91 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.026 -0.731 . . . . 10.0 109.026 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.34 -27.54 81.59 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.224 1.949 . . . . 10.0 111.485 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 1.46 40.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.286 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -72.13 142.56 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 10.0 110.823 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.13 150.61 31.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 45.6 mm -55.63 -46.84 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.921 0.391 . . . . 10.0 111.29 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.64 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 16.4 pt-20 -71.25 -21.99 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -71.08 -39.23 72.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.055 0.455 . . . . 10.0 110.212 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.511 HG22 HG11 ' D' ' 17' ' ' VAL . 21.1 t -71.92 -25.71 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.383 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.02 -37.16 76.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.715 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.64 81.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.404 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -68.84 -28.48 66.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.822 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . 0.574 HG12 HD11 ' D' ' 15' ' ' LEU . 16.1 mt -70.6 -33.08 51.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -73.98 -33.2 63.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.799 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.45 -23.52 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.565 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -100.89 -49.98 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.35 0.5 . . . . 10.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -99.28 -44.81 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.27 15.96 11.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.456 -0.878 . . . . 10.0 113.554 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 50.6 mt -84.9 126.73 67.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 31.8 Cg_exo -60.69 131.48 37.96 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.748 2.299 . . . . 10.0 111.845 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.4 Cg_exo -55.56 -29.97 72.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.263 2.642 . . . . 10.0 112.431 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . 0.607 ' O ' ' HD3' ' D' ' 72' ' ' ARG . 35.9 t70 -72.58 -20.66 61.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.01 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -98.53 -10.38 23.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.979 0.418 . . . . 10.0 110.397 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 79.2 mt-30 -83.18 110.46 18.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.052 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.624 ' HD3' ' HA ' ' D' ' 72' ' ' ARG . 31.6 ttp85 -109.75 102.15 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.609 HD22 HD13 ' D' ' 67' ' ' LEU . 20.1 mt -91.85 124.18 35.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.451 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' D' ' 49' ' ' GLN . 38.6 mt -124.83 125.96 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.231 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.628 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 38.6 t80 -115.6 116.18 27.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.734 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.784 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 56.21 44.19 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.145 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . 0.467 ' HA3' HG22 ' B' ' 44' ' ' ILE . . . 82.69 -10.71 55.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.611 -0.804 . . . . 10.0 114.364 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.412 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 69.7 mtt180 -112.53 124.66 53.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.703 0.751 . . . . 10.0 111.707 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' D' ' 44' ' ' ILE . 29.5 tt0 -64.86 143.21 58.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' D' ' 45' ' ' PHE . 37.6 mt -94.29 125.02 38.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.787 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.597 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 48.7 mt-10 -73.41 127.99 34.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' D' ' 24' ' ' GLU . 1.6 m-20 -50.95 -34.03 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -4.39 90.47 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.067 -0.587 . . . . 10.0 114.296 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.597 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 37.8 mmt180 -92.0 172.64 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.234 0.517 . . . . 10.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -115.22 176.88 4.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.148 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.69 -29.43 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.969 0.414 . . . . 10.0 110.02 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -33.62 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.996 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -64.32 -26.97 68.72 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.08 9.31 20.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 10.0 112.111 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 t30 50.79 58.95 4.97 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.499 0.666 . . . . 10.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 68.6 mt -99.87 127.0 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.902 -0.777 . . . . 10.0 108.902 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -120.96 -166.89 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.206 0.527 . . . . 10.0 111.849 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 65.0 tttt -67.96 141.78 56.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.538 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' CE2' ' D' ' 4' ' ' PHE . 3.8 mt-10 78.5 4.43 2.6 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -71.93 142.11 49.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.0 m -107.62 131.25 54.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . 0.609 HD13 HD22 ' D' ' 43' ' ' LEU . 0.6 OUTLIER -107.37 135.29 49.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.281 -179.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -90.63 109.45 20.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.931 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' D' ' 7' ' ' THR . 57.3 tp -96.47 109.4 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 10.0 109.925 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.9 m -109.09 170.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.025 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -75.98 144.41 40.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.002 0.43 . . . . 10.0 110.922 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . 0.624 ' HA ' ' HD3' ' D' ' 42' ' ' ARG . 3.3 ttp180 -81.59 71.76 8.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 10.0 110.286 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.89 117.27 25.51 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.558 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -110.03 179.4 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.947 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' E' ' 48' ' ' LYS . . . -65.08 113.27 5.7 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.061 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.588 ' HA2' ' NZ ' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.216 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 41.6 ttp . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.039 0.447 . . . . 10.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -85.86 123.98 31.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -116.31 156.33 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 10.0 111.22 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 96.8 m-85 -120.83 113.44 20.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.342 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -104.26 134.12 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.479 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.692 ' HG2' HG23 ' E' ' 12' ' ' THR . 77.9 mttt -123.0 141.57 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -99.58 172.41 7.31 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.326 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.27 -25.12 67.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 10.0 111.475 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -82.87 -3.68 57.19 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.56 -8.85 68.98 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.694 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.685 ' NZ ' ' HA3' ' B' ' 76' ' ' GLY . 8.9 tmtm? -65.12 123.79 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.934 0.397 . . . . 10.0 110.616 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . 0.692 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.4 m -107.31 146.45 31.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.6 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 tp -144.42 133.75 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 10.0 110.782 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -93.8 128.59 40.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mp -129.04 153.34 47.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.64 97.85 7.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.709 HG11 HG22 ' E' ' 26' ' ' VAL . 24.8 t -121.18 137.98 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.415 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -70.22 147.9 95.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.75 -31.45 85.89 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.541 2.16 . . . . 10.0 111.885 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 21.64 8.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.669 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -91.75 148.19 22.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.651 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.408 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -84.15 154.94 22.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.069 -179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.02 -33.41 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.331 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -56.17 -44.65 79.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.209 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 97.9 m-20 -68.65 -36.39 78.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.0 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.709 HG22 HG11 ' E' ' 17' ' ' VAL . 39.6 t -61.26 -45.76 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.83 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . 0.656 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 90.0 mttt -58.61 -39.9 81.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.023 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.43 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' E' ' 17' ' ' VAL . 67.5 mttm -68.45 -37.38 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.919 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.13 -33.93 66.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.999 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -70.71 -22.32 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.073 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -83.79 -48.23 10.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.601 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -76.33 -54.12 7.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -84.07 -44.49 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.43 41.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.645 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -82.17 123.17 79.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 37.7 Cg_exo -59.13 139.82 92.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.427 2.085 . . . . 10.0 111.142 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.656 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 65.0 Cg_exo -54.31 -33.51 76.32 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.09 2.527 . . . . 10.0 111.912 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.34 7.41 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.797 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -124.47 2.43 8.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' E' ' 69' ' ' LEU . 74.3 mt-30 -101.88 152.22 21.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.391 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 42.1 ttm-85 -146.7 102.94 3.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.74 -0.837 . . . . 10.0 108.74 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.427 ' HB3' HD12 ' E' ' 50' ' ' LEU . 48.3 mt -87.65 131.1 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.147 -0.479 . . . . 10.0 112.031 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 64.8 mt -129.12 121.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.722 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.53 ' HB3' HD21 ' E' ' 50' ' ' LEU . 67.4 t80 -121.56 120.88 36.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.552 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.83 22.58 13.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.714 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.22 -3.5 76.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.12 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.588 ' NZ ' ' HA2' ' D' ' 76' ' ' GLY . 22.0 tttp -105.4 128.41 53.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.795 0.331 . . . . 10.0 110.622 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -70.32 142.42 52.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.197 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' E' ' 45' ' ' PHE . 19.8 mt -99.41 122.08 42.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -78.91 156.74 28.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.279 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.01 -54.13 24.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.156 0.798 . . . . 10.0 113.156 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.77 50.35 3.27 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 114.908 0.723 . . . . 10.0 114.908 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -144.94 164.9 29.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.991 0.395 . . . . 10.0 110.072 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.92 160.37 15.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.6 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.81 -27.97 69.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.079 0.466 . . . . 10.0 110.975 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.953 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -73.4 -18.52 61.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.126 0.488 . . . . 10.0 110.644 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.08 10.23 22.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p30 44.66 51.43 8.18 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -84.84 107.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -78.7 179.29 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' E' ' 63' ' ' LYS . 14.9 ttpp -71.74 138.67 48.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.085 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 27.8 mt-10 68.78 28.24 5.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.8 0.667 . . . . 10.0 112.8 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -88.57 126.15 35.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 117.05 8.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 10.0 112.03 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.61 131.34 52.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.924 -0.769 . . . . 10.0 108.924 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -97.23 133.79 41.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.792 0.33 . . . . 10.0 111.694 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' E' ' 41' ' ' GLN . 34.1 tp -121.23 116.13 24.32 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' E' ' 42' ' ' ARG . 13.8 m -115.33 -170.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.75 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -86.15 150.72 24.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.255 0.55 . . . . 10.0 111.768 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.654 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 0.4 OUTLIER -142.27 112.98 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.611 178.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.742 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.992 0.425 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' B' ' 14' ' ' THR . 79.6 mt-30 -105.27 125.09 50.59 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.295 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 pt -104.55 151.6 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 66' ' ' THR . 45.3 m-85 -103.62 125.3 50.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.126 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -120.93 123.27 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 16.4 ttmm -108.89 131.03 55.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.955 0.407 . . . . 10.0 111.02 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -86.14 -167.01 1.7 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.4 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.5 OUTLIER -82.29 -10.29 59.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.727 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -94.36 -4.03 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 10.0 111.199 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.83 -5.63 69.42 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.896 -0.669 . . . . 10.0 112.307 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 17.9 ttm180 -71.28 134.69 46.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.586 0.231 . . . . 10.0 110.635 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -117.2 121.58 41.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.764 0.316 . . . . 10.0 110.471 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -109.55 154.26 11.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.287 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.53 HG22 ' HB3' ' B' ' 2' ' ' GLN . 3.3 m -124.79 134.45 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 10.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.8 152.23 48.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.76 0.314 . . . . 10.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.41 123.58 31.8 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.529 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.64 156.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.977 0.417 . . . . 10.0 111.628 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.95 155.92 35.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.727 -0.669 . . . . 10.0 109.983 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.79 -24.65 74.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.564 2.176 . . . . 10.0 112.062 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.4 m -98.39 2.65 48.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.62 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -64.77 125.93 26.33 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -77.48 158.16 30.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.075 -0.512 . . . . 10.0 111.611 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.643 HG22 ' HE3' ' B' ' 27' ' ' LYS . 47.5 mm -56.92 -41.98 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.614 ' HA ' ' HD2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -67.17 -33.48 75.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.161 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.99 -41.01 91.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.3 t -62.44 -42.95 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.58 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' B' ' 23' ' ' ILE . 90.0 mttt -58.83 -41.63 87.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.56 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.33 90.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.417 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 58.0 mt -68.9 -39.17 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.572 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -66.61 -36.9 83.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.911 0.386 . . . . 10.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.41 -13.61 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.246 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -101.93 -58.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.757 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -90.34 -38.6 13.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.823 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.48 -22.24 13.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.447 -0.882 . . . . 10.0 112.704 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.7 mt -58.82 122.67 63.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 122.319 0.248 . . . . 10.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.5 Cg_endo -59.15 139.19 89.31 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.928 2.419 . . . . 10.0 111.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.6 Cg_exo -59.89 -30.12 91.06 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.208 2.605 . . . . 10.0 113.594 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.479 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 11.8 p-10 -71.75 -25.08 61.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 111.584 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -97.54 4.7 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.957 0.408 . . . . 10.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 75.3 mt-30 -90.41 155.32 19.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.789 ' HB3' HG23 ' B' ' 70' ' ' VAL . 18.4 ttt180 -144.3 103.46 3.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.48 123.78 34.45 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.422 -0.353 . . . . 10.0 111.497 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -125.33 135.11 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.726 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.414 ' HB2' HD23 ' B' ' 67' ' ' LEU . 64.8 t80 -138.09 127.22 24.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.375 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.01 16.06 7.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.952 -0.567 . . . . 10.0 112.176 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.11 -8.68 65.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.598 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.9 156.73 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.781 -0.246 . . . . 10.0 110.715 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.32 146.52 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.33 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' B' ' 45' ' ' PHE . 78.8 mt -89.58 111.57 22.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.772 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 49.6 mm-40 -75.68 135.57 40.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.734 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.521 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.7 m-20 -62.38 -19.64 63.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 10.0 112.019 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.94 5.15 78.97 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.358 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 17.0 mmt180 -117.1 154.28 31.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.7 p -94.96 172.35 8.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -64.61 -32.18 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 10.0 110.496 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -16.57 61.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.013 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' B' ' 55' ' ' THR . 5.2 m-20 -72.0 -21.6 61.54 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.025 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.99 9.49 18.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.944 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 61.45 38.94 15.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.685 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mt -79.19 119.07 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -111.77 -159.87 0.7 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.366 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -82.74 151.96 25.94 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.29 1.57 3.32 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.564 0.54 . . . . 10.0 112.313 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -68.66 130.03 41.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.078 0.466 . . . . 10.0 110.377 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 10.8 m -102.11 130.4 48.7 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 45' ' ' PHE . 5.0 mp -116.18 160.43 20.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.918 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -104.88 142.38 34.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 10.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.07 116.69 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.189 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' B' ' 42' ' ' ARG . 0.8 OUTLIER -127.81 175.05 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.048 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -85.7 160.16 19.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.956 0.407 . . . . 10.0 111.28 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -87.59 125.89 34.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.338 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 1.7 pp -90.97 164.52 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.616 -0.266 . . . . 10.0 110.692 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -89.71 117.55 28.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.068 0.461 . . . . 10.0 111.461 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.448 ' O ' ' HG2' ' E' ' 11' ' ' LYS . . . -80.88 -48.62 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 10.0 111.982 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.794 ' HA2' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 10.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.791 0.329 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.71 138.11 36.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.073 0.463 . . . . 10.0 111.718 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -127.59 177.21 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -119.6 132.04 55.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.792 0.329 . . . . 10.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' D' ' 67' ' ' LEU . 72.6 t -125.98 131.23 71.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' D' ' 11' ' ' LYS . 27.9 mmmt -98.81 130.02 45.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -81.21 -178.07 6.75 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.565 ' HG ' HD23 ' D' ' 69' ' ' LEU . 54.0 mt -69.97 -18.44 63.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.009 0.433 . . . . 10.0 110.134 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.49 -15.05 29.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 10.0 111.106 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.28 50.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.753 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' D' ' 6' ' ' LYS . 85.8 tttt -70.48 138.11 50.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -101.77 98.96 9.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 44.6 pt -92.41 146.91 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.113 -0.329 . . . . 10.0 110.113 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.03 117.68 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.944 0.402 . . . . 10.0 110.469 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.482 HD11 HG12 ' D' ' 30' ' ' ILE . 86.7 mt -117.41 139.96 50.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -104.07 113.08 26.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.597 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.47 169.13 21.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.434 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 12.3 mm-40 -101.03 153.44 37.73 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.76 -24.46 75.82 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.461 2.107 . . . . 10.0 111.968 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.92 3.94 51.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.6 OUTLIER -76.27 153.19 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' D' ' 55' ' ' THR . 0.8 OUTLIER -92.8 158.22 15.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.785 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.421 HD12 HD13 ' D' ' 50' ' ' LEU . 47.4 mm -60.48 -39.75 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.95 0.405 . . . . 10.0 110.274 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.922 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -70.67 -40.19 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.014 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.31 -38.4 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.5 -40.11 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.482 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.48 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.031 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.401 ' HB3' HD22 ' D' ' 15' ' ' LEU . 21.6 mttt -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.482 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . 0.482 HG12 HD11 ' D' ' 15' ' ' LEU . 56.4 mt -68.32 -34.39 65.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 64.7 tt0 -74.37 -27.47 60.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.311 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -77.8 -43.14 31.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.724 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -81.19 -60.45 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.55 -47.76 9.57 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.614 0.228 . . . . 10.0 111.614 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 113.27 12.45 12.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.418 -0.896 . . . . 10.0 112.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 61.8 mt -78.33 121.02 83.26 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 24.4 Cg_exo -65.1 129.73 23.78 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.821 2.347 . . . . 10.0 111.422 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 51.8 Cg_exo -55.39 -25.24 47.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.337 2.692 . . . . 10.0 112.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.41 -34.28 76.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.491 . . . . 10.0 110.644 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.53 9.51 43.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . 0.412 HE22 ' HB ' ' D' ' 30' ' ' ILE . 56.6 mt-30 -95.84 150.24 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.136 0.493 . . . . 10.0 111.996 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -166.12 97.59 0.62 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.096 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 HD13 ' D' ' 67' ' ' LEU . 66.2 mt -91.32 136.3 33.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.921 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 33.0 mm -114.91 134.14 58.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.151 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' D' ' 50' ' ' LEU . 58.5 t80 -128.12 123.14 33.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.675 -0.238 . . . . 10.0 110.391 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.11 -37.64 0.37 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.317 0.858 . . . . 10.0 113.317 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.92 -8.76 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.69 -0.767 . . . . 10.0 112.689 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.423 HH21 HG13 ' B' ' 70' ' ' VAL . 93.0 mtt180 -115.21 155.22 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.848 0.356 . . . . 10.0 111.232 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.04 135.33 35.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.465 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' D' ' 45' ' ' PHE . 31.2 mt -79.7 117.96 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.498 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.47 146.2 40.82 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.47 42.09 2.57 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.411 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -131.02 153.04 49.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 77.8 p -99.47 171.51 7.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.989 -0.375 . . . . 10.0 109.989 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 37.8 mt -66.58 -33.17 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.035 0.445 . . . . 10.0 110.219 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -23.73 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.679 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.6 -37.02 77.44 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.286 0.565 . . . . 10.0 110.125 179.314 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.97 8.01 34.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.051 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t30 60.79 35.84 19.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.043 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.33 122.37 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -110.56 -166.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.282 0.563 . . . . 10.0 111.902 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -70.84 139.78 50.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.762 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 65.4 27.76 11.8 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -74.53 156.61 36.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 11.7 m -117.02 114.88 24.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.293 0.568 . . . . 10.0 111.355 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . 0.557 ' HB2' HG22 ' D' ' 5' ' ' VAL . 89.2 mt -105.72 124.14 49.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.802 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -99.84 131.05 46.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.975 0.417 . . . . 10.0 110.88 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' D' ' 8' ' ' LEU . 8.4 tp -92.52 131.63 37.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.022 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 25.8 m -113.0 154.81 14.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . 0.583 ' HG ' ' H ' ' D' ' 73' ' ' LEU . 33.1 tp -68.67 133.43 48.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.826 0.346 . . . . 10.0 111.255 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -112.08 29.9 7.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.489 0.662 . . . . 10.0 109.857 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . 0.583 ' H ' ' HG ' ' D' ' 71' ' ' LEU . 18.7 tp -121.72 124.48 44.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.985 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -74.22 125.89 29.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.28 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.61 64.33 0.27 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.549 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.528 ' C ' ' HE3' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.108 -0.568 . . . . 10.0 112.139 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 11.6 ttp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.945 0.402 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -73.11 133.01 43.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.109 0.48 . . . . 10.0 111.978 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -113.42 166.33 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.904 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.459 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 11.0 m-85 -121.79 102.91 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.835 0.35 . . . . 10.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' E' ' 13' ' ' ILE . 25.7 t -95.13 122.27 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.092 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -120.28 163.36 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.115 0.483 . . . . 10.0 110.914 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -122.41 -166.81 1.47 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.46 HD22 HG12 ' E' ' 70' ' ' VAL . 0.6 OUTLIER -101.02 -5.48 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.013 0.435 . . . . 10.0 110.504 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 4.9 t -99.5 -20.33 16.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.836 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.9 -6.6 8.9 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.183 -1.008 . . . . 10.0 113.604 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.794 ' HZ3' ' HA2' ' B' ' 76' ' ' GLY . 11.6 mmtm -72.03 131.47 42.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.603 0.24 . . . . 10.0 111.029 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -131.96 131.01 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.298 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' E' ' 5' ' ' VAL . 3.1 tp -131.24 134.36 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.84 125.11 45.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.536 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.07 152.64 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.911 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -98.53 110.65 23.21 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.631 HG13 ' HE3' ' E' ' 29' ' ' LYS . 38.5 t -133.59 132.85 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.494 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.19 147.61 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.51 -29.91 85.57 Favored 'Trans proline' 0 N--CA 1.473 0.293 0 C-N-CA 122.776 2.317 . . . . 10.0 112.395 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 9.72 14.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.555 -178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -84.24 163.94 19.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.036 -0.266 . . . . 10.0 111.481 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.514 ' O ' HG23 ' E' ' 26' ' ' VAL . 19.4 p -101.02 151.84 21.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.792 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.15 -41.16 68.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.248 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -58.06 -40.31 80.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.965 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 65.0 t30 -72.83 -35.01 67.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.557 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.526 HG22 HG11 ' E' ' 17' ' ' VAL . 62.1 t -63.49 -42.36 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 82.5 mttt -58.52 -39.32 79.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.308 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.68 84.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.567 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.631 ' HE3' HG13 ' E' ' 17' ' ' VAL . 28.5 mttm -63.83 -38.66 91.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.929 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.17 -34.13 64.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.508 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -71.69 -18.28 62.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.227 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.71 -29.3 36.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.772 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -97.8 -50.32 4.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.873 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.86 -52.4 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.44 -5.59 26.5 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.515 -0.85 . . . . 10.0 113.151 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 2.6 mp -75.61 128.37 84.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.605 0.24 . . . . 10.0 110.546 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' E' ' 36' ' ' ILE . 26.5 Cg_exo -63.23 145.73 93.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.04 2.494 . . . . 10.0 112.371 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 50.7 Cg_exo -56.3 -27.68 68.15 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.353 2.702 . . . . 10.0 112.221 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -21.57 66.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.011 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -106.09 2.56 27.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.994 0.426 . . . . 10.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -96.93 118.0 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.798 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' E' ' 70' ' ' VAL . 15.4 ttt180 -117.11 98.06 6.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 177.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.641 ' HB3' HD12 ' E' ' 50' ' ' LEU . 14.5 mt -89.12 131.31 35.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.949 -0.569 . . . . 10.0 112.464 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -131.12 127.63 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.116 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.538 ' HB3' HD21 ' E' ' 50' ' ' LEU . 29.4 t80 -116.37 109.53 17.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.717 0.294 . . . . 10.0 111.415 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.91 39.78 23.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.692 -0.685 . . . . 10.0 112.235 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 2.53 90.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.99 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.528 ' HE3' ' C ' ' D' ' 76' ' ' GLY . 44.4 mmtm -109.6 125.87 53.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.357 . . . . 10.0 110.556 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' E' ' 49' ' ' GLN . 0.1 OUTLIER -66.2 138.55 57.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.394 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.641 HD12 ' HB3' ' E' ' 43' ' ' LEU . 43.6 mt -100.78 109.12 21.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.833 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -74.43 143.13 44.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.414 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.0 -47.43 80.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 36.54 2.35 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 115.279 0.871 . . . . 10.0 115.279 -177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -132.75 168.72 17.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.635 0.717 . . . . 10.0 110.888 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -105.64 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.618 0.247 . . . . 10.0 111.219 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . 0.418 HD11 HG21 ' E' ' 26' ' ' VAL . 8.4 mp -67.99 -42.2 81.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.976 0.417 . . . . 10.0 111.218 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -62.86 -22.02 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.773 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.93 -21.77 66.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 10.0 110.921 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -115.86 19.84 14.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 p30 49.0 40.58 17.35 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.62 134.98 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.476 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . 0.436 ' HB3' ' H ' ' E' ' 63' ' ' LYS . 33.7 mm-40 -107.83 -140.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' E' ' 62' ' ' GLN . 24.4 ttpp -101.9 133.27 46.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.459 ' HG2' ' HE2' ' E' ' 4' ' ' PHE . 11.1 mt-10 64.06 30.9 13.81 Favored 'General case' 0 C--O 1.231 0.085 0 O-C-N 123.566 0.541 . . . . 10.0 112.056 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 47.4 m -71.26 137.52 48.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.295 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -79.4 104.05 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 18.1 mt -101.25 131.3 47.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.736 -0.666 . . . . 10.0 109.451 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -96.31 128.62 43.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.81 0.338 . . . . 10.0 111.252 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.68 111.24 20.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' E' ' 42' ' ' ARG . 32.0 m -111.27 171.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.828 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 34.4 tp -84.48 127.15 33.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 10.0 111.433 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' E' ' 72' ' ' ARG . 6.4 ttp180 -86.36 132.83 33.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.445 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.01 0.433 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -92.23 123.14 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.267 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.18 151.2 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' B' ' 66' ' ' THR . 66.4 m-85 -112.02 122.45 47.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.903 0.383 . . . . 10.0 111.514 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.0 105.84 19.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.56 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 44.3 tttm -103.75 136.26 43.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.987 -178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.31 174.07 7.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.292 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.462 ' H ' HD23 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -63.02 -26.94 69.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.571 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -37.3 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.778 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 133.43 -21.26 4.08 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.586 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.49 116.04 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.45 . . . . 10.0 111.561 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.707 HG21 HD22 ' D' ' 60' ' ' ASN . 4.8 m -108.96 116.61 32.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.462 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 pt -104.03 152.4 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.554 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -106.5 137.62 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.302 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -134.4 142.46 47.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.81 0.338 . . . . 10.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.81 116.18 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -135.36 171.44 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.354 . . . . 10.0 111.086 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.06 150.93 39.33 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.624 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.4 -27.77 85.85 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.398 2.066 . . . . 10.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.21 1.62 50.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.986 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -72.62 142.71 48.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.064 0.459 . . . . 10.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.1 p -90.7 160.21 15.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.106 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.4 -37.88 75.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.917 0.389 . . . . 10.0 110.185 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -64.05 -30.0 71.1 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.096 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.75 -42.69 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.83 -41.06 87.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.92 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.3 mttt -57.11 -43.99 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.917 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.47 98.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.312 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -63.43 -36.77 84.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.76 -34.35 67.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -71.46 -33.11 69.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.661 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.23 -25.28 62.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.924 0.392 . . . . 10.0 110.838 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -96.14 -53.24 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.893 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -91.92 -44.68 8.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.79 -9.03 32.07 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.538 -0.839 . . . . 10.0 113.244 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.89 125.84 89.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.518 0.199 . . . . 10.0 111.348 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.2 Cg_endo -59.16 130.72 37.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.054 2.503 . . . . 10.0 111.827 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.8 Cg_exo -56.58 -25.8 61.02 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 123.542 2.828 . . . . 10.0 114.25 -178.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -75.83 -21.71 57.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.86 -8.69 25.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.89 0.376 . . . . 10.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.5 118.91 19.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.546 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 14.8 ttm180 -110.94 96.41 6.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.98 123.31 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.309 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.6 mt -120.39 130.35 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.864 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.438 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.2 t80 -121.98 130.17 53.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.763 -0.828 . . . . 10.0 108.763 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.576 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 66.97 -67.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.853 0.721 . . . . 10.0 111.102 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 14.23 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.531 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.59 150.14 50.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.564 -0.374 . . . . 10.0 110.918 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.57 133.01 35.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' B' ' 45' ' ' PHE . 35.5 mt -74.55 126.32 30.53 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' OH ' ' B' ' 59' ' ' TYR . 59.2 mm-40 -74.03 138.01 43.78 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.98 -43.92 73.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.738 1.014 . . . . 10.0 113.738 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.35 20.18 15.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.782 -0.723 . . . . 10.0 114.671 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.4 mmt180 -110.17 156.94 19.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.617 0.708 . . . . 10.0 110.658 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 74.6 p -99.66 168.15 10.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.81 -33.95 75.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 10.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -22.64 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.69 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -71.17 -20.88 62.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' HG2' ' B' ' 51' ' ' GLU . 65.9 m-85 -110.44 8.82 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 10.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.64 34.89 20.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.227 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mt -76.44 110.92 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.73 -0.47 . . . . 10.0 109.73 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -80.25 -168.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 3.3 ttp-105 -86.84 146.92 26.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 10.0 111.8 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.464 ' N ' ' HG2' ' B' ' 63' ' ' ARG . 44.9 mt-10 60.47 35.63 20.27 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.786 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -95.98 126.44 41.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.686 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.597 ' HB ' ' CE2' ' D' ' 45' ' ' PHE . 8.6 m -86.14 109.54 18.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.333 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.09 154.34 17.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.095 -0.705 . . . . 10.0 109.095 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.842 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 41.9 m-70 -106.61 124.96 50.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.109 0.481 . . . . 10.0 111.263 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -103.84 117.01 33.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.12 -177.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.5 tp -92.98 137.77 32.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.189 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.938 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 70.3 ttt180 -109.48 130.78 55.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.184 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.85 99.65 12.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -100.0 25.07 7.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.488 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.94 -176.61 15.11 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 10.0 111.24 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.611 ' HA3' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.471 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.198 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.068 0.461 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' D' ' 15' ' ' LEU . 70.3 mt-30 -84.4 133.39 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.939 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -128.4 163.62 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.259 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.28 127.55 54.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.896 0.379 . . . . 10.0 110.799 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.507 ' HB ' HG13 ' D' ' 13' ' ' ILE . 52.5 t -116.14 127.29 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.271 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.85 127.65 44.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.615 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 79.6 p -82.03 -179.36 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.394 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.09 -20.73 60.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.147 0.499 . . . . 10.0 109.938 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -22.66 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.727 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.43 17.12 12.85 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.83 -0.7 . . . . 10.0 111.917 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -85.07 143.28 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -109.85 111.81 23.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.821 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.507 HG13 ' HB ' ' D' ' 5' ' ' VAL . 22.1 pt -109.27 137.94 38.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.528 -0.306 . . . . 10.0 110.333 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -101.42 126.47 48.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.016 0.436 . . . . 10.0 110.584 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.598 HD21 ' HG3' ' D' ' 33' ' ' LYS . 80.1 mt -123.35 138.96 54.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.635 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -105.67 112.12 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.09 -0.708 . . . . 10.0 109.09 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.65 -173.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.317 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 26.2 mm-40 -110.97 153.36 43.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.818 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.8 -32.68 93.12 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.304 2.003 . . . . 10.0 111.526 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.51 10.99 6.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.465 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 1.1 m-20 -82.62 142.36 31.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.855 0.359 . . . . 10.0 111.432 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 155.35 27.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.085 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.582 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 46.5 mm -58.76 -44.96 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.716 0.293 . . . . 10.0 111.226 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' D' ' 52' ' ' ASP . 9.4 pt-20 -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.908 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -75.21 -38.75 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.164 0.507 . . . . 10.0 109.785 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.96 -34.72 72.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.828 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -58.01 -34.53 70.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.165 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.21 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.437 ' HB3' HD22 ' D' ' 15' ' ' LEU . 58.2 mttt -69.44 -35.33 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 10.0 110.324 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.1 -34.43 69.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.459 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.2 tt0 -68.65 -26.94 65.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -86.52 -43.18 12.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.334 -0.393 . . . . 10.0 111.42 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.598 ' HG3' HD21 ' D' ' 15' ' ' LEU . 49.2 mmtt -70.96 -50.04 38.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.836 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.42 -56.7 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.8 0.333 . . . . 10.0 111.352 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 125.52 -4.66 8.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.838 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 44.5 mt -68.76 122.95 86.76 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.657 0.265 . . . . 10.0 110.761 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 32.4 Cg_exo -61.51 136.89 66.04 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 123.055 2.503 . . . . 10.0 111.564 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 77.2 Cg_exo -52.49 -32.51 53.3 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.577 2.851 . . . . 10.0 113.591 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.99 -29.74 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.997 0.427 . . . . 10.0 111.468 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -94.09 4.57 53.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.458 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -98.15 145.42 26.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.936 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.406 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.7 ttp85 -156.96 102.35 1.99 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.943 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' D' ' 67' ' ' LEU . 51.9 mt -88.2 132.37 34.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.96 135.8 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.63 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HB ' ' B' ' 66' ' ' THR . 12.9 t80 -126.54 111.01 13.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.101 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.842 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 53.35 43.22 31.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.67 -16.84 43.49 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.966 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -95.64 147.0 24.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 117.108 0.454 . . . . 10.0 111.529 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . 0.406 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 25.9 tt0 -88.02 133.84 33.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.09 115.94 23.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.062 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.651 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 46.4 mt-10 -71.57 129.67 39.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . 0.582 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 13.2 m-20 -58.77 -25.66 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.926 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.78 10.6 64.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.267 -0.492 . . . . 10.0 113.983 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 21.4 mmt180 -115.17 166.41 11.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.26 0.53 . . . . 10.0 110.102 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -104.92 168.64 8.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.217 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.99 -32.93 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 10.0 109.932 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -27.36 67.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.596 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -64.76 -37.51 87.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 10.0 111.483 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -97.28 0.07 47.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . 0.707 HD22 HG21 ' B' ' 12' ' ' THR . 60.1 t30 61.09 47.48 7.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.403 -0.817 . . . . 10.0 111.304 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 mt -88.24 111.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.97 -163.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.651 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 81.2 tttt -78.17 150.23 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 39.0 mt-10 73.99 12.04 4.33 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -77.57 149.28 34.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.417 -0.216 . . . . 10.0 110.417 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 5.2 m -114.45 117.47 31.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.093 0.473 . . . . 10.0 111.816 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' D' ' 43' ' ' LEU . 18.9 mt -108.83 149.46 29.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -126.57 148.33 49.77 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.7 -0.4 . . . . 10.0 111.747 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 m -115.94 152.13 17.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.03 119.05 6.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.027 0.441 . . . . 10.0 111.632 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -94.55 -44.14 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.386 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . 0.611 ' H ' HD23 ' D' ' 73' ' ' LEU . 0.9 OUTLIER -84.23 111.24 19.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.522 -179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.62 18.23 3.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.345 0.593 . . . . 10.0 111.071 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . 0.424 ' C ' ' HE2' ' E' ' 48' ' ' LYS . . . 83.72 175.73 51.01 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.54 -0.754 . . . . 10.0 112.674 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 121.218 -0.515 . . . . 10.0 113.202 -179.628 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.056 0.455 . . . . 10.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . 0.605 ' HB2' ' HG3' ' E' ' 16' ' ' GLU . 36.3 tt0 -75.68 119.22 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.947 -0.569 . . . . 10.0 111.427 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.461 ' H ' HG13 ' E' ' 3' ' ' ILE . 2.0 pp -113.65 175.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.098 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' E' ' 66' ' ' THR . 96.0 m-85 -116.23 136.08 53.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 10.0 111.205 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' E' ' 13' ' ' ILE . 46.6 t -121.19 125.9 74.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.012 -0.736 . . . . 10.0 109.012 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -118.22 162.61 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 10.0 111.813 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 3.1 p -125.26 176.22 6.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.393 -0.821 . . . . 10.0 109.089 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.89 -23.75 62.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 10.0 110.061 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.05 -31.58 58.89 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.49 -0.777 . . . . 10.0 110.329 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.67 -11.11 13.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 10.0 112.567 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.611 ' HZ3' ' HA3' ' B' ' 76' ' ' GLY . 39.6 mmtm -60.79 114.53 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.007 0.432 . . . . 10.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -103.97 146.32 28.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.366 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' E' ' 5' ' ' VAL . 11.2 tp -142.47 154.66 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.265 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p -114.08 141.74 47.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.058 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.29 128.88 12.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . 0.605 ' HG3' ' HB2' ' E' ' 2' ' ' GLN . 2.1 mp0 -89.3 104.88 17.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.209 -0.664 . . . . 10.0 109.209 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.69 HG13 ' HE3' ' E' ' 29' ' ' LYS . 40.7 t -121.66 140.99 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.462 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' E' ' 19' ' ' PRO . 42.4 mm-40 -74.12 143.26 80.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.302 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 24.5 Cg_exo -64.44 -23.79 64.63 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.695 2.263 . . . . 10.0 111.608 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 13.94 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.897 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.12 143.97 27.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.717 0.294 . . . . 10.0 110.969 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' E' ' 25' ' ' ASN . 0.1 OUTLIER -76.81 160.11 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.751 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . 0.707 HG23 HD12 ' E' ' 43' ' ' LEU . 31.8 mm -57.99 -41.04 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.153 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.33 -29.32 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.975 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 4.5 m-20 -67.55 -41.4 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.622 HG22 HG11 ' E' ' 17' ' ' VAL . 20.3 t -64.68 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.58 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . 0.536 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 86.0 mttt -59.76 -41.38 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.598 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.75 92.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.229 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.69 ' HE3' HG13 ' E' ' 17' ' ' VAL . 35.1 mttm -62.32 -40.95 98.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.576 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 57.8 mt -67.68 -38.09 79.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.13 0.49 . . . . 10.0 109.837 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.4 -31.9 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.38 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.8 -25.44 59.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -89.71 -60.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.992 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.55 -49.7 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 5.19 13.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.434 -0.889 . . . . 10.0 112.299 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -83.88 123.51 75.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.4 Cg_exo -56.4 141.63 89.32 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.894 2.396 . . . . 10.0 112.275 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 50.6 Cg_exo -57.07 -33.55 95.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.374 2.716 . . . . 10.0 112.845 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -4.97 37.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.979 0.419 . . . . 10.0 111.756 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . 0.563 HE21 HD11 ' E' ' 71' ' ' LEU . 33.1 mt-30 -108.81 4.99 24.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.019 0.438 . . . . 10.0 110.101 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -110.47 140.57 44.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.249 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.7 ' HB3' HG23 ' E' ' 70' ' ' VAL . 17.9 ttm180 -130.32 97.66 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.707 HD12 HG23 ' E' ' 23' ' ' ILE . 10.3 mt -72.17 124.1 24.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.725 0.639 . . . . 10.0 112.725 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.09 128.71 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.448 -0.797 . . . . 10.0 109.062 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD21 ' E' ' 50' ' ' LEU . 53.8 t80 -128.66 115.03 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.354 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.96 30.39 19.59 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.1 -9.16 78.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.642 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' D' ' 75' ' ' GLY . 2.7 mmtp -96.57 127.86 42.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.663 0.268 . . . . 10.0 110.792 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -75.9 128.56 35.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' E' ' 43' ' ' LEU . 14.3 mt -87.34 123.13 31.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 10.0 111.245 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -75.04 139.48 42.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.246 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.15 -42.48 77.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.69 0.996 . . . . 10.0 113.69 -178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.09 17.32 17.95 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 115.042 0.777 . . . . 10.0 115.042 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . 0.419 ' O ' HG12 ' E' ' 23' ' ' ILE . 81.6 mtp180 -114.7 165.47 12.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.59 0.695 . . . . 10.0 110.973 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 0.6 OUTLIER -103.74 179.66 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 10.0 111.927 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.11 -36.88 72.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.939 0.4 . . . . 10.0 111.217 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.91 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.3 m-20 -58.36 -40.45 82.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.087 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 7.5 m-85 -106.53 20.04 19.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.715 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.32 39.2 4.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 31.7 mt -73.54 117.57 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.258 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -100.38 -164.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.096 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -77.81 157.13 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.003 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 61.48 28.52 17.83 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 21.1 m -89.77 161.52 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.219 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 4.7 m -117.42 118.93 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.061 0.457 . . . . 10.0 112.088 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -100.12 165.94 11.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.838 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -117.2 135.54 53.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.531 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -113.87 87.51 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.081 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' E' ' 42' ' ' ARG . 3.0 m -104.0 162.28 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.39 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . 0.563 HD11 HE21 ' E' ' 40' ' ' GLN . 39.0 tp -77.84 132.84 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.332 -0.395 . . . . 10.0 111.641 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -102.47 134.16 46.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.582 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.025 -179.861 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.301 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.72 138.2 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.955 0.407 . . . . 10.0 111.222 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -124.96 167.96 18.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.779 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.35 129.21 56.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.551 0.215 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -110.75 114.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' B' ' 10' ' ' GLY . 46.5 tttm -113.77 141.63 47.05 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 24.5 p -96.15 -174.82 3.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.89 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.88 -24.26 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 10.0 110.525 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -75.41 -46.78 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.292 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' B' ' 6' ' ' LYS . . . 147.37 -23.4 1.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.317 -0.944 . . . . 10.0 112.831 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 22.8 ttm180 -52.98 125.29 16.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 10.0 111.969 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 0.2 OUTLIER -122.52 122.42 38.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.516 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.484 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.3 pt -113.78 141.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.794 0.331 . . . . 10.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.23 122.72 41.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.759 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.29 144.43 50.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.194 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -92.65 125.56 37.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.725 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.73 164.17 15.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -104.72 146.02 31.83 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.16 -0.682 . . . . 10.0 109.16 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.07 -31.16 81.78 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.48 2.12 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.41 -5.0 58.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -68.33 133.04 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 10.0 110.451 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.38 154.24 35.08 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.655 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.95 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.5 mm -57.72 -39.13 68.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -64.19 -29.88 70.97 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.84 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.86 -38.19 67.11 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.77 -37.64 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.274 -0.876 . . . . 10.0 109.839 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 31.5 mmtp -57.76 -36.71 72.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.472 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.81 92.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.578 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.63 -40.45 84.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.88 0.372 . . . . 10.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.22 -35.63 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.235 0.54 . . . . 10.0 109.647 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.475 ' HG3' ' HD3' ' B' ' 38' ' ' PRO . 1.9 tt0 -72.31 -23.32 61.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.555 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.71 -42.67 15.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.531 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -77.3 -56.55 4.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -81.72 -52.64 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.456 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 117.03 -11.21 14.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.345 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -63.86 127.2 91.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 C-N-CA 122.521 0.329 . . . . 10.0 110.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 27.5 Cg_endo -62.85 133.65 42.83 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.074 2.516 . . . . 10.0 112.307 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 53.4 Cg_exo -55.79 -28.68 68.37 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.563 2.842 . . . . 10.0 113.195 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -25.35 66.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.931 0.345 . . . . 10.0 111.931 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -106.57 3.17 26.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.876 0.37 . . . . 10.0 111.049 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -84.48 104.01 14.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.518 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 11.7 ttt180 -100.74 96.09 7.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' B' ' 50' ' ' LEU . 28.7 mt -87.71 123.99 33.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -121.43 134.63 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.281 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -133.8 132.54 40.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.786 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.85 -67.53 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.759 0.662 . . . . 10.0 111.282 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.74 15.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.522 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -132.74 160.63 36.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 10.0 110.617 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -83.2 141.86 31.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' B' ' 43' ' ' LEU . 82.4 mt -84.0 112.54 20.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.966 0.358 . . . . 10.0 111.966 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.97 120.61 14.51 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.95 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.8 m-20 -54.28 -32.03 55.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.76 -1.32 77.56 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.853 -0.689 . . . . 10.0 113.562 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 17.2 mmt180 -105.08 165.46 11.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.0 0.4 . . . . 10.0 111.436 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.9 p -99.38 -179.57 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.238 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -73.29 -35.58 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.039 0.447 . . . . 10.0 110.021 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -23.9 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.021 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.81 -39.68 92.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -97.69 7.56 46.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 57.7 t30 63.16 35.1 13.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.0 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.16 123.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.14 -1.059 . . . . 10.0 108.14 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -113.71 -162.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.157 0.429 . . . . 10.0 112.157 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -73.28 143.15 47.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.792 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.27 20.65 12.26 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.634 0.976 . . . . 10.0 113.634 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -85.14 130.17 34.66 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.0 m -91.19 125.06 35.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 10.0 111.455 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.453 HD23 HD11 ' B' ' 50' ' ' LEU . 5.1 mp -110.77 150.03 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.528 ' ND1' ' HD2' ' D' ' 48' ' ' ARG . 76.1 m-70 -107.77 128.77 54.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.241 0.543 . . . . 10.0 112.411 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -99.41 127.31 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.088 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.68 150.43 26.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -82.05 113.13 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 30.1 ttp180 -74.81 152.64 38.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.693 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.51 169.4 16.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.723 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -81.91 -45.46 15.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.89 79.17 0.54 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.155 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.557 ' HA3' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 C--N 1.332 0.332 0 CA-C-O 119.75 -0.472 . . . . 10.0 112.755 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.492 ' SD ' ' HA ' ' D' ' 62' ' ' GLN . 41.6 ttp . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.929 0.395 . . . . 10.0 110.161 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -123.33 129.66 51.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.966 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.62 160.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -115.2 113.1 23.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.478 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -99.36 130.89 47.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -109.66 112.81 25.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 10.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 50.5 p -75.99 176.49 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.555 HD21 ' HA ' ' D' ' 70' ' ' VAL . 46.3 mt -68.36 -23.94 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.104 0.478 . . . . 10.0 110.334 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -6.19 54.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.399 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.38 28.23 53.17 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.77 132.85 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.599 0.238 . . . . 10.0 110.387 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 110.08 21.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.242 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 51.7 mt -110.25 121.11 62.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -87.03 133.37 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.425 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 35.8 mt -134.02 138.07 45.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -87.42 121.19 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.354 -0.98 . . . . 10.0 108.354 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -137.18 168.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.265 0.555 . . . . 10.0 112.143 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -112.29 155.31 43.79 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.092 -0.958 . . . . 10.0 108.457 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.68 -33.29 93.45 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.13 1.887 . . . . 10.0 111.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.7 8.15 33.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.982 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.35 136.82 42.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.621 -0.511 . . . . 10.0 109.621 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . 0.449 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -84.79 150.9 24.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.757 0.313 . . . . 10.0 111.743 -178.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.89 -45.97 83.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.359 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.79 -24.71 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.188 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.28 -44.5 29.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.759 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 22' ' ' THR . 22.3 t -64.88 -32.7 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.189 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . 0.799 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 73.5 mttt -57.03 -35.47 69.33 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.887 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.29 79.91 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.626 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.85 -37.8 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' D' ' 26' ' ' VAL . 71.5 mt -64.91 -43.2 96.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.925 -0.579 . . . . 10.0 109.859 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.12 -29.66 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.031 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -71.84 -28.99 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.577 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -90.53 -43.38 10.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.424 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -98.86 -83.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.29 -28.62 0.34 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.008 -1.092 . . . . 10.0 113.643 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.17 122.72 37.88 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 116.646 0.223 . . . . 10.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.65 137.81 79.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.242 2.628 . . . . 10.0 112.541 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.799 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 48.8 Cg_exo -58.55 -25.17 73.3 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.286 2.657 . . . . 10.0 112.823 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.97 -40.52 95.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.013 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.25 -27.13 38.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.62 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.26 128.41 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.57 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.401 ' HB3' HG23 ' D' ' 70' ' ' VAL . 28.1 ttp85 -127.65 101.2 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.02 123.55 29.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.784 -0.643 . . . . 10.0 112.471 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 41.7 mm -118.11 129.3 74.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.414 -0.812 . . . . 10.0 108.976 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD11 ' D' ' 50' ' ' LEU . 23.5 t80 -107.82 88.31 2.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.709 0.29 . . . . 10.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.74 51.93 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 -45.9 1.33 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.608 -0.806 . . . . 10.0 114.507 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' ND1' ' B' ' 68' ' ' HIS . 50.8 mtt180 -87.45 140.75 29.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -178.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -82.98 141.1 32.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.887 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' D' ' 45' ' ' PHE . 12.6 mt -101.68 142.86 32.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.961 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.553 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 70.5 mt-10 -82.02 147.76 28.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.52 -42.69 95.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.916 0.388 . . . . 10.0 111.509 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.47 49.78 4.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.577 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.553 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 27.1 mmt180 -131.76 154.77 48.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.695 0.283 . . . . 10.0 110.535 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.57 173.83 7.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -79.88 -18.93 49.44 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -10.68 57.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 110.819 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.05 -56.45 6.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.495 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . 0.411 ' CG ' HD22 ' D' ' 50' ' ' LEU . 92.8 m-85 -91.56 9.88 30.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.739 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 64.33 60.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.345 0.593 . . . . 10.0 112.184 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -107.03 114.02 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.507 -0.923 . . . . 10.0 108.507 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.492 ' HA ' ' SD ' ' D' ' 1' ' ' MET . 4.9 mt-30 -119.2 -155.72 0.62 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.818 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 70.7 tttt -74.9 142.02 44.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.57 0.224 . . . . 10.0 110.434 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 15.5 mt-10 77.44 3.83 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.393 -0.821 . . . . 10.0 112.84 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 45.6 m -72.84 142.54 48.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -105.09 129.5 53.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.42 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.37 117.57 30.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -91.66 139.31 30.81 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.57 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 47.1 mt -104.52 143.52 32.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.506 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.555 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.8 m -136.13 178.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.287 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 tp -85.75 156.37 20.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.68 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -90.78 92.51 8.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -103.58 124.59 49.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.166 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -140.27 -178.3 5.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.395 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.11 -166.14 28.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.113 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.699 ' HA3' ' HZ2' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.34 -0.933 . . . . 10.0 112.738 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.689 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 42.3 ttp . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.836 0.35 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.28 119.63 29.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.445 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.409 HD12 HD12 ' E' ' 67' ' ' LEU . 44.7 pt -92.15 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.351 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HG3' ' E' ' 64' ' ' GLU . 53.8 m-85 -124.07 92.62 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 10.0 111.514 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.21 123.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.548 ' HD2' HG23 ' E' ' 66' ' ' THR . 94.6 mttt -124.21 138.35 54.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.092 0.473 . . . . 10.0 111.844 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -100.96 159.49 15.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.287 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.674 HD22 HG12 ' E' ' 70' ' ' VAL . 1.9 pt? -69.32 -12.05 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.055 0.391 . . . . 10.0 112.055 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.32 -10.68 59.0 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.83 0.347 . . . . 10.0 111.293 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 49.72 1.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.869 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.557 ' NZ ' ' HA3' ' B' ' 76' ' ' GLY . 1.5 tmtp? -134.99 136.12 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 10.8 m -124.98 127.59 47.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.732 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tp -121.14 133.93 66.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.431 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' E' ' 33' ' ' LYS . 17.6 p -95.11 137.79 33.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.145 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -141.86 145.55 34.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.532 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -88.99 112.71 23.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.017 0.437 . . . . 10.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.426 HG11 HD13 ' E' ' 56' ' ' LEU . 51.4 t -128.53 139.44 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.078 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 66.7 mm-40 -83.91 153.38 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.23 -17.28 56.1 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.493 2.129 . . . . 10.0 112.074 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -108.81 12.72 25.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.7 OUTLIER -71.81 148.65 46.04 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.989 0.423 . . . . 10.0 111.422 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.445 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.6 OUTLIER -90.46 155.63 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.458 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -59.02 -43.52 89.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.36 . . . . 10.0 110.929 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -62.64 -33.59 75.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.924 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 5.8 t-20 -69.94 -40.49 75.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.076 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.445 HG23 ' O ' ' E' ' 22' ' ' THR . 63.6 t -62.73 -42.75 97.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 81.8 mttt -58.63 -39.59 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.271 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.36 94.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.14 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' E' ' 25' ' ' ASN . 58.1 mttt -65.62 -41.05 93.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.661 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.66 -35.46 75.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.181 0.515 . . . . 10.0 110.021 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 55.6 tt0 -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.934 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -82.16 -42.04 19.59 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' E' ' 14' ' ' THR . 30.4 mtpp -70.44 -53.24 17.2 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 10.0 113.452 -178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -97.62 -29.42 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.683 0.623 . . . . 10.0 112.683 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 96.47 26.39 10.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.774 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.91 118.33 57.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.231 -0.285 . . . . 10.0 110.231 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 50.8 Cg_exo -56.88 140.43 91.74 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.889 2.393 . . . . 10.0 112.029 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 52.3 Cg_exo -54.63 -32.79 76.73 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.322 2.681 . . . . 10.0 112.515 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.27 -34.42 76.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.237 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.19 2.93 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.647 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -94.75 101.71 13.56 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 45.7 ttm-85 -97.3 88.73 4.51 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.442 -0.947 . . . . 10.0 108.442 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.417 ' HB3' HD12 ' E' ' 50' ' ' LEU . 78.9 mt -79.47 119.42 22.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.434 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -117.67 135.54 57.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.736 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.46 ' HB3' HD21 ' E' ' 50' ' ' LEU . 81.7 t80 -133.55 111.09 10.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.593 -0.276 . . . . 10.0 110.32 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 36.21 16.56 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.278 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.54 -7.77 79.74 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.987 -0.625 . . . . 10.0 113.708 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.699 ' HZ2' ' HA3' ' D' ' 76' ' ' GLY . 29.7 tptt -111.62 128.2 55.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.037 0.418 . . . . 10.0 110.466 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.32 143.13 50.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.844 0.354 . . . . 10.0 110.422 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' E' ' 45' ' ' PHE . 49.1 mt -85.85 107.4 17.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -66.76 141.6 57.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.379 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.73 -43.93 93.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.666 0.988 . . . . 10.0 113.666 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.87 41.44 2.18 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 115.07 0.788 . . . . 10.0 115.07 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' E' ' 59' ' ' TYR . 75.8 mtp180 -144.16 173.17 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.458 0.629 . . . . 10.0 110.449 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.562 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.8 p -104.96 175.04 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 10.0 111.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' HB ' ' E' ' 61' ' ' ILE . 0.9 OUTLIER -70.87 -35.11 72.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 10.0 110.651 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -15.81 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.797 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.5 OUTLIER -61.95 -33.35 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.943 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.458 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 24.0 m-85 -106.88 19.36 20.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.454 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 45.91 44.39 11.12 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.259 0.837 . . . . 10.0 113.259 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . 0.527 ' HB ' ' HG ' ' E' ' 56' ' ' LEU . 69.2 mt -75.52 107.11 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -85.42 -173.56 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.689 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 1.0 OUTLIER -66.96 140.05 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.796 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.407 ' HG3' ' HE2' ' E' ' 4' ' ' PHE . 1.0 OUTLIER 58.39 59.19 3.09 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.73 0.644 . . . . 10.0 112.165 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -109.95 141.41 42.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.848 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . 0.548 HG23 ' HD2' ' E' ' 6' ' ' LYS . 10.7 m -78.15 118.84 20.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.758 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . 0.409 HD12 HD12 ' E' ' 3' ' ' ILE . 95.3 mt -111.59 108.6 18.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.697 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -74.78 130.73 39.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.612 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.23 117.44 25.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.783 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.711 HG23 ' HB3' ' E' ' 42' ' ' ARG . 9.7 m -123.72 -179.6 2.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.295 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.3 140.04 42.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.947 0.403 . . . . 10.0 111.068 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.842 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 73.3 ttt-85 -130.29 88.66 2.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.718 179.372 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.59 0.233 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -76.86 114.86 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.322 0.49 . . . . 10.0 112.322 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' B' ' 15' ' ' LEU . 12.0 pt -122.02 145.21 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.335 178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -116.44 97.84 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.004 0.431 . . . . 10.0 111.293 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.742 ' HB ' HG13 ' B' ' 13' ' ' ILE . 15.0 t -99.77 118.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -110.69 128.41 55.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.083 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.8 p -72.8 176.14 5.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.585 -0.279 . . . . 10.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' B' ' 70' ' ' VAL . 3.2 pp -60.19 -23.59 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.551 0.574 . . . . 10.0 112.551 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -44.15 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.047 0.451 . . . . 10.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 145.34 -6.85 1.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.897 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 11' ' ' ARG . 10.9 ttm180 -64.54 123.98 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.776 0.288 . . . . 10.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 125.51 44.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.294 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.742 HG13 ' HB ' ' B' ' 5' ' ' VAL . 9.8 pt -110.51 135.16 50.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -102.53 135.87 43.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.053 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.456 ' HB2' HD11 ' B' ' 3' ' ' ILE . 2.9 mt -145.86 157.83 43.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.851 0.357 . . . . 10.0 110.966 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -101.55 102.25 12.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.72 151.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.049 0.452 . . . . 10.0 111.528 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -99.29 151.47 37.43 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.31 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.92 -31.0 88.08 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.573 2.182 . . . . 10.0 112.159 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.36 10.36 12.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.124 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -82.81 131.94 35.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.648 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -78.73 147.36 33.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.693 -179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.428 HG13 ' HB3' ' B' ' 50' ' ' LEU . 45.3 mm -56.07 -33.94 37.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.175 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.648 ' HG3' ' HB ' ' B' ' 22' ' ' THR . 0.0 OUTLIER -60.23 -40.88 91.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.742 178.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.59 -40.0 64.2 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -54.8 -44.7 72.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.357 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.1 mtmt -66.94 -37.71 84.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -30.47 71.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.389 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -65.74 -45.59 82.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.804 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.83 -34.74 72.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.295 0.569 . . . . 10.0 110.595 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.25 -44.45 10.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.04 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.423 ' HD2' HD21 ' B' ' 15' ' ' LEU . 64.2 tttp -59.57 -56.39 22.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.704 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -103.6 -47.9 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 127.44 2.0 6.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.243 -0.98 . . . . 10.0 113.04 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.73 119.1 72.23 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 10.9 Cg_endo -55.42 133.86 60.55 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.921 2.414 . . . . 10.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 33.9 Cg_exo -62.77 -29.04 76.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.206 2.604 . . . . 10.0 112.899 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -72.61 -18.86 61.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.467 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 11.1 mt-30 -104.56 1.58 29.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.96 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 78.4 mt-30 -88.37 128.52 35.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.381 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HB3' HG23 ' B' ' 70' ' ' VAL . 11.0 ttt180 -119.16 88.27 2.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.818 0.342 . . . . 10.0 110.643 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' B' ' 50' ' ' LEU . 21.0 mt -83.56 112.14 19.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.505 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.33 128.64 72.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.341 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.576 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.8 t80 -131.43 130.5 42.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.688 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.25 21.67 11.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.621 0.576 . . . . 10.0 112.062 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.32 8.07 78.61 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.159 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -122.0 150.93 41.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.88 0.371 . . . . 10.0 111.471 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.77 135.15 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' B' ' 45' ' ' PHE . 40.0 mt -81.55 115.92 21.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.854 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.54 148.88 42.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.17 -52.36 65.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.53 25.88 2.36 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 114.979 0.752 . . . . 10.0 114.979 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -120.18 155.22 33.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.425 0.612 . . . . 10.0 110.499 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p -102.27 -179.89 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.746 0.308 . . . . 10.0 110.403 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 61' ' ' ILE . 59.2 mt -69.28 -35.26 75.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 10.0 109.724 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -21.25 66.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.367 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.4 -42.12 83.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.497 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -95.65 14.68 22.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 t30 63.15 28.23 15.91 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.846 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 56' ' ' LEU . 72.0 mt -70.39 120.67 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -116.34 -161.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.41 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.6 ttp-105 -73.96 142.35 45.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.885 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.76 15.22 10.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.507 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -77.58 133.48 38.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.282 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 m -95.13 132.48 40.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 10.0 112.017 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.72 138.94 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.987 -0.746 . . . . 10.0 108.987 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.472 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 82.4 m-70 -101.19 121.32 41.64 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -102.03 88.13 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.222 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' B' ' 42' ' ' ARG . 16.6 m -93.19 -173.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.656 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 tp -82.53 135.4 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.969 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.85 68.43 9.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 10.0 110.763 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.18 117.77 22.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.325 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.9 0.48 1.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.522 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.95 141.33 12.6 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.677 -0.773 . . . . 10.0 111.829 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.478 ' C ' ' HZ1' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.466 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.983 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.44 ' HG3' ' HB2' ' D' ' 63' ' ' LYS . 26.3 ttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.031 0.443 . . . . 10.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.525 ' HG2' ' HG3' ' D' ' 16' ' ' GLU . 60.2 mt-30 -81.63 120.75 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.282 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.76 157.07 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.89 135.46 54.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 10.0 111.891 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.404 HG22 HD12 ' D' ' 67' ' ' LEU . 43.3 t -122.59 125.19 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.048 -0.723 . . . . 10.0 109.048 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -103.24 126.12 50.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.876 0.369 . . . . 10.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 40.1 p -89.83 177.72 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.146 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' D' ' 70' ' ' VAL . 96.2 mt -76.1 -20.5 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.191 0.52 . . . . 10.0 110.652 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.18 -10.23 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.74 36.33 7.92 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.76 -0.733 . . . . 10.0 111.954 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -121.54 140.25 52.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.777 0.322 . . . . 10.0 110.717 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -108.46 116.25 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.893 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 15.7 mt -100.56 135.54 36.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -97.06 117.75 31.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -117.11 149.46 40.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 110.97 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' D' ' 2' ' ' GLN . 3.7 mt-10 -123.43 87.18 2.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.199 0.523 . . . . 10.0 110.449 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -112.29 170.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.861 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.48 151.89 38.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.3 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 31.8 Cg_exo -60.68 -22.19 72.09 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.231 . . . . 10.0 112.231 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -82.96 -9.63 59.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.748 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.74 141.27 42.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.472 . . . . 10.0 111.271 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -83.37 162.94 20.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.226 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.9 -37.79 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 10.0 110.233 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 17.7 pt-20 -62.85 -26.69 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.362 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -73.42 -37.88 65.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.773 -0.455 . . . . 10.0 109.773 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.24 -40.3 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.087 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -55.69 -41.25 73.46 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.698 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.31 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.677 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -70.04 -38.32 75.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.651 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.26 -38.26 82.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.169 0.509 . . . . 10.0 109.959 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.457 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 50.5 tt0 -70.1 -32.95 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.076 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.49 -42.11 65.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.566 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -85.23 -58.3 2.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -82.23 -41.78 19.81 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.001 0.371 . . . . 10.0 112.001 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 102.79 29.83 5.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.209 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 40.6 mt -103.52 115.42 63.69 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.3 Cg_exo -56.7 135.23 69.35 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.752 2.302 . . . . 10.0 111.623 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 54.1 Cg_exo -54.31 -28.37 52.58 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.302 2.668 . . . . 10.0 112.756 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -66.1 -32.52 74.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.217 0.532 . . . . 10.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -94.33 3.22 55.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.586 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -95.17 126.35 40.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.335 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' D' ' 72' ' ' ARG . 24.2 ttp180 -137.4 100.22 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 69' ' ' LEU . 4.4 mp -96.32 128.64 43.43 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -110.75 134.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.345 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.435 ' CE2' HG12 ' D' ' 61' ' ' ILE . 38.7 t80 -113.44 89.97 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.831 -0.348 . . . . 10.0 111.738 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.472 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 68.38 -22.24 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 10.0 114.263 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.63 -56.76 0.11 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.525 -0.63 . . . . 10.0 111.525 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.528 ' HD2' ' HE1' ' D' ' 59' ' ' TYR . 5.3 mtt180 -73.12 144.06 47.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.725 0.298 . . . . 10.0 110.346 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.02 139.41 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.477 HD11 HD22 ' D' ' 67' ' ' LEU . 86.2 mt -86.14 115.66 23.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.462 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.729 ' HB2' ' HG2' ' D' ' 54' ' ' ARG . 30.4 mt-10 -81.87 143.52 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.77 -38.63 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.942 0.719 . . . . 10.0 112.942 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.12 12.68 57.53 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.088 -0.577 . . . . 10.0 114.001 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.729 ' HG2' ' HB2' ' D' ' 51' ' ' GLU . 34.1 mmt180 -101.22 151.87 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.016 0.408 . . . . 10.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 25.9 p -104.99 178.08 4.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 34.1 mt -66.85 -37.52 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 10.0 110.579 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -22.01 66.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.792 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -59.56 -34.09 72.24 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.014 0.435 . . . . 10.0 110.884 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . 0.528 ' HE1' ' HD2' ' D' ' 48' ' ' ARG . 69.7 m-85 -118.27 6.95 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.269 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m120 59.09 39.75 22.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.274 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . 0.435 HG12 ' CE2' ' D' ' 45' ' ' PHE . 53.1 mt -68.7 124.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -107.26 -166.13 1.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.288 0.566 . . . . 10.0 112.291 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.44 ' HB2' ' HG3' ' D' ' 1' ' ' MET . 80.7 tttt -74.28 153.43 39.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.382 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 68.43 6.26 5.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 28.2 m -68.07 146.92 53.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 10.0 110.466 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -112.08 111.55 22.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.155 0.502 . . . . 10.0 111.713 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . 0.477 HD22 HD11 ' D' ' 50' ' ' LEU . 69.8 mt -91.7 136.16 33.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.294 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -99.61 112.28 24.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.143 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . 0.579 ' HG ' ' HG ' ' D' ' 43' ' ' LEU . 1.4 tt -96.58 96.07 8.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.845 0.355 . . . . 10.0 110.527 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.535 ' HA ' HD21 ' D' ' 8' ' ' LEU . 31.2 m -91.47 175.81 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.416 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' D' ' 74' ' ' ARG . 32.2 tp -84.01 137.03 33.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.987 0.422 . . . . 10.0 111.873 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' D' ' 42' ' ' ARG . 26.0 ttp85 -116.61 -17.47 10.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.04 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' D' ' 73' ' ' LEU . 0.3 OUTLIER -74.23 -67.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.868 -179.215 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . 0.557 ' HB2' HD21 ' D' ' 71' ' ' LEU . 59.7 mtm180 -76.29 81.29 3.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.262 0.553 . . . . 10.0 111.438 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.98 -80.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.155 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.563 ' HA2' ' HZ3' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.353 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.916 0.389 . . . . 10.0 110.565 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -88.86 120.67 30.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.15 152.95 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.116 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.415 ' HE2' ' HG2' ' E' ' 64' ' ' GLU . 24.4 m-85 -112.52 113.48 25.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.987 0.422 . . . . 10.0 111.424 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.543 ' HB ' HG23 ' E' ' 13' ' ' ILE . 46.5 t -101.64 119.04 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.691 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' E' ' 12' ' ' THR . 95.7 mttt -115.03 133.51 55.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.777 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.0 -170.2 2.36 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.489 HD22 HG12 ' E' ' 70' ' ' VAL . 0.7 OUTLIER -95.32 0.83 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.17 0.509 . . . . 10.0 110.152 179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -8.31 36.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.45 -1.39 55.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.21 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.478 ' HZ1' ' C ' ' B' ' 76' ' ' GLY . 0.1 OUTLIER -80.29 152.49 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.753 0.311 . . . . 10.0 110.581 -179.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . 0.409 HG23 ' HG2' ' E' ' 6' ' ' LYS . 21.9 m -139.54 130.0 25.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.167 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' E' ' 5' ' ' VAL . 8.1 tt -124.15 141.53 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.774 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -100.09 134.1 43.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.953 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . 0.61 HD11 HG12 ' E' ' 30' ' ' ILE . 75.4 mt -128.71 139.03 52.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -101.39 110.69 22.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.919 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.425 HG11 HG22 ' E' ' 26' ' ' VAL . 14.7 m -140.54 179.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.582 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 65.1 mm-40 -110.1 152.23 42.98 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.27 -28.69 87.37 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.424 2.082 . . . . 10.0 112.176 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -83.19 -4.67 58.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.08 -0.509 . . . . 10.0 112.178 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.5 OUTLIER -69.01 150.81 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.843 0.354 . . . . 10.0 110.528 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.7 p -91.6 161.16 15.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.596 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . 37.6 mm -58.3 -45.1 89.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.586 -0.279 . . . . 10.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.87 -36.27 78.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.795 0.331 . . . . 10.0 110.718 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.35 -39.22 93.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.14 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.542 HG21 HD11 ' E' ' 56' ' ' LEU . 67.9 t -72.14 -35.85 54.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.926 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.29 -37.07 71.85 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.833 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.63 99.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.291 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -65.87 -33.81 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.427 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . 0.61 HG12 HD11 ' E' ' 15' ' ' LEU . 51.8 mt -66.37 -41.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.504 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.73 -26.8 61.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.517 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -24.26 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -105.83 -56.62 2.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.792 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -78.54 -48.49 15.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.906 0.384 . . . . 10.0 111.423 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.66 -9.86 30.2 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.907 -0.663 . . . . 10.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.54 124.38 88.14 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.189 -0.301 . . . . 10.0 110.189 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.427 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.0 Cg_exo -60.23 140.2 90.92 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.767 2.311 . . . . 10.0 111.668 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.22 -32.22 79.55 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.316 2.677 . . . . 10.0 112.534 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -68.52 -23.71 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.44 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . 0.667 ' HG3' ' HG ' ' E' ' 73' ' ' LEU . 11.8 tt0 -97.77 -3.2 39.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.531 . . . . 10.0 110.185 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 80.1 mt-30 -90.6 124.69 35.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.429 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 10.3 ttm-85 -125.23 102.64 7.55 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.444 ' HB3' HD12 ' E' ' 50' ' ' LEU . 13.8 mt -81.91 129.19 34.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.221 0.534 . . . . 10.0 111.931 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.71 124.99 70.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.596 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.629 ' HB3' HD21 ' E' ' 50' ' ' LEU . 51.0 t80 -126.08 118.91 26.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.993 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.38 34.74 15.43 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.686 0.616 . . . . 10.0 111.663 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.59 11.22 85.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.382 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.563 ' HZ3' ' HA2' ' D' ' 76' ' ' GLY . 64.1 tttm -119.97 134.11 55.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.826 0.313 . . . . 10.0 111.323 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.53 131.49 43.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.519 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.3 mt -88.47 146.23 25.31 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.039 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -82.39 153.26 25.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.026 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.91 -43.44 62.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.091 -0.504 . . . . 10.0 112.033 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.21 53.02 2.49 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 10.0 114.625 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . 0.429 ' HB2' ' OH ' ' E' ' 59' ' ' TYR . 62.1 mtp180 -140.1 168.94 18.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.963 0.381 . . . . 10.0 110.048 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 66.7 p -101.29 173.68 6.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.825 0.345 . . . . 10.0 111.603 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . 0.542 HD11 HG21 ' E' ' 26' ' ' VAL . 8.1 mp -70.63 -34.16 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.71 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -69.62 -19.95 63.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.273 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.32 -23.31 64.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.912 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HB2' HG13 ' E' ' 61' ' ' ILE . 22.4 m-85 -113.34 16.89 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.576 -0.528 . . . . 10.0 109.576 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 p30 47.51 36.36 5.13 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . 0.45 HG13 ' HB2' ' E' ' 59' ' ' TYR . 80.9 mt -67.59 121.62 17.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.086 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -96.07 -174.59 3.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.75 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 13.1 ttpp -69.77 131.28 44.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.436 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 42.6 mt-10 61.37 46.46 7.66 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.783 -0.644 . . . . 10.0 112.19 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -82.76 162.87 21.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.498 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 15.3 m -95.51 97.6 9.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 10.0 111.207 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 79.5 mt -98.67 120.89 39.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.037 -0.529 . . . . 10.0 109.761 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' E' ' 6' ' ' LYS . 85.0 m-70 -91.78 138.32 31.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.809 0.337 . . . . 10.0 110.719 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.22 121.28 37.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.489 HG12 HD22 ' E' ' 8' ' ' LEU . 28.3 m -126.74 -178.94 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.059 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.07 145.07 46.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.931 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.56 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 12.8 ttp180 -130.32 28.62 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.054 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . 0.667 ' HG ' ' HG3' ' E' ' 40' ' ' GLN . 53.8 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.032 0.444 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -117.3 123.88 47.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.721 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -111.51 167.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -111.86 144.39 41.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 10.0 111.274 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -124.5 117.49 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.433 ' HE2' ' HA2' ' B' ' 10' ' ' GLY . 42.7 tttm -111.81 137.26 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 10.0 112.349 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.2 p -88.32 -168.74 2.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.987 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -88.19 -20.59 25.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.034 0.445 . . . . 10.0 110.365 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -77.2 -27.74 53.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.433 ' HA2' ' HE2' ' B' ' 6' ' ' LYS . . . 121.46 2.1 10.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.723 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -79.31 130.27 35.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -125.75 115.73 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 10.0 110.842 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.3 pt -105.38 166.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.349 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -123.28 135.5 54.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.26 147.28 50.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.618 0.247 . . . . 10.0 111.568 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -87.07 126.69 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.96 164.26 28.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.084 0.469 . . . . 10.0 110.976 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 80.9 mm-40 -109.77 153.21 43.13 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.714 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -59.29 -26.11 80.67 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.61 2.207 . . . . 10.0 111.717 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -98.97 14.12 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.651 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 m-20 -77.1 133.83 38.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.837 0.351 . . . . 10.0 110.677 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -86.03 153.81 21.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.185 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.4 mm -59.19 -34.39 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 10.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.666 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 12.8 pt-20 -62.45 -35.02 77.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.439 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 8.0 t-20 -73.95 -36.58 64.64 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.33 -42.85 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.629 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -59.23 -41.19 88.12 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.633 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.65 -0.705 . . . . 10.0 110.752 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -64.99 -39.95 94.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 10.0 110.435 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.02 -37.47 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.997 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -71.94 -28.83 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.97 -37.24 69.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.566 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -95.74 -42.86 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -97.17 -34.68 11.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.12 60.8 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.223 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.82 119.65 62.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 10.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.469 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 19.3 Cg_endo -59.86 132.24 43.99 Favored 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 123.131 2.554 . . . . 10.0 112.762 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.2 Cg_exo -57.88 -32.06 94.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.218 2.612 . . . . 10.0 112.651 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.2 -24.26 66.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.548 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 6.2 mt-30 -103.29 4.63 36.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.204 0.526 . . . . 10.0 110.852 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 71.8 mt-30 -89.48 116.84 27.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -119.04 74.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.04 122.27 19.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.937 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.698 HD12 HG21 ' B' ' 70' ' ' VAL . 31.8 mt -123.21 128.41 74.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.663 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' HD21 ' B' ' 50' ' ' LEU . 58.7 t80 -120.58 135.42 55.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.744 ' HA ' ' CE1' ' D' ' 68' ' ' HIS . . . 68.52 -71.03 0.12 Allowed 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.768 0.667 . . . . 10.0 111.015 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.55 15.95 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.402 -0.679 . . . . 10.0 111.402 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -130.45 154.9 47.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.688 0.28 . . . . 10.0 110.691 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.43 ' HA ' HG12 ' B' ' 44' ' ' ILE . 24.8 tt0 -81.56 138.96 35.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.473 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.423 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.5 mt -85.15 122.46 29.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.073 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -88.04 139.42 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.043 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.666 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 4.9 m-20 -57.95 -23.81 55.27 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.11 -2.85 87.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.266 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -104.32 163.98 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.56 -0.376 . . . . 10.0 110.997 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 7.9 p -105.99 173.12 6.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.648 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.44 -39.25 93.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.08 0.467 . . . . 10.0 111.04 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.3 m -75.51 -5.88 47.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -73.52 -31.44 63.69 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.0 13.69 25.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.159 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.3 t30 58.79 49.04 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.457 -0.792 . . . . 10.0 112.065 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -91.13 113.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.13 -162.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.888 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ttp-105 -63.26 146.5 53.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.026 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 58.23 45.91 16.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.0 m -108.98 124.89 51.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.848 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -96.36 118.12 32.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.671 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.01 141.88 33.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.548 ' HD2' ' HB3' ' D' ' 46' ' ' ALA . 8.7 m-70 -100.53 128.5 46.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.229 0.538 . . . . 10.0 112.07 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -89.51 97.61 11.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.163 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.698 HG21 HD12 ' B' ' 44' ' ' ILE . 84.6 t -77.97 138.87 19.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.611 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 tp -67.74 130.16 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -88.94 120.9 30.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.475 ' HG ' ' H ' ' B' ' 75' ' ' GLY . 26.4 tp -87.15 139.21 30.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.211 -0.45 . . . . 10.0 109.874 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 25.34 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.127 0.489 . . . . 10.0 111.023 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.844 ' HA2' HG21 ' E' ' 9' ' ' THR . . . 101.07 -169.63 21.0 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 10.0 111.648 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.985 ' HA2' ' HZ2' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.259 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttp . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.771 0.32 . . . . 10.0 110.731 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -107.23 123.75 48.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.175 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.8 162.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.162 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -110.79 123.17 49.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.968 0.413 . . . . 10.0 110.403 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.664 ' HB ' HG13 ' D' ' 13' ' ' ILE . 96.5 t -108.73 118.62 56.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.55 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -97.63 115.46 27.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.195 -0.457 . . . . 10.0 109.974 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -83.35 171.47 13.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.715 0.293 . . . . 10.0 110.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' D' ' 70' ' ' VAL . 80.5 mt -66.83 -21.69 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.103 0.477 . . . . 10.0 111.083 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -9.25 59.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.764 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.99 21.09 47.59 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.792 -0.718 . . . . 10.0 111.457 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -99.34 134.21 42.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 0.4 OUTLIER -108.69 115.32 29.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.72 0.295 . . . . 10.0 110.996 -179.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.664 HG13 ' HB ' ' D' ' 5' ' ' VAL . 6.2 pt -108.62 157.85 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.269 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.85 140.32 39.86 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 15' ' ' LEU . 23.1 mt -128.46 151.3 49.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.54 0.21 . . . . 10.0 111.509 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.93 112.96 26.03 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.032 -1.099 . . . . 10.0 108.032 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.91 178.16 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -123.1 152.1 62.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.7 -31.63 80.7 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.59 2.194 . . . . 10.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -100.81 24.17 9.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.419 . . . . 10.0 111.745 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -81.58 156.87 24.97 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . 0.405 ' O ' HG23 ' D' ' 26' ' ' VAL . 0.0 OUTLIER -102.0 151.32 22.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.906 0.384 . . . . 10.0 111.876 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.523 ' HB ' ' HA ' ' D' ' 52' ' ' ASP . 43.5 mm -58.27 -39.37 73.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.989 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.91 -34.92 73.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.281 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.02 -34.93 66.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.999 0.428 . . . . 10.0 109.964 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.405 HG23 ' O ' ' D' ' 22' ' ' THR . 56.4 t -61.78 -43.53 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.733 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' D' ' 38' ' ' PRO . 93.4 mttt -59.95 -38.29 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.94 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.26 82.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -68.07 -36.02 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.726 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -68.25 -32.42 55.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.319 0.581 . . . . 10.0 109.454 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 63.6 tt0 -74.12 -33.93 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.247 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -72.66 -37.53 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.274 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -77.08 -71.57 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.37 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -79.04 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.08 0.467 . . . . 10.0 111.224 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 124.71 19.33 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.195 -179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' D' ' 37' ' ' PRO . 38.2 mt -80.42 127.34 76.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.479 -0.193 . . . . 10.0 110.479 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 36' ' ' ILE . 38.7 Cg_exo -59.04 123.55 13.72 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.868 2.378 . . . . 10.0 111.794 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.503 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 52.9 Cg_exo -57.82 -29.19 85.2 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.333 2.688 . . . . 10.0 112.489 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -67.1 -27.11 67.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.459 . . . . 10.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -95.91 -7.83 35.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 37' ' ' PRO . 78.8 mt-30 -79.72 125.51 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.695 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.459 ' HB3' HG23 ' D' ' 70' ' ' VAL . 9.3 ttp85 -122.83 90.83 3.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.015 -0.735 . . . . 10.0 109.015 178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.545 ' HB3' HD12 ' D' ' 50' ' ' LEU . 42.8 mt -73.97 122.81 23.17 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.658 -0.701 . . . . 10.0 112.807 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' D' ' 68' ' ' HIS . 21.7 mm -114.72 141.56 30.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.416 -0.957 . . . . 10.0 108.416 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -133.15 101.98 5.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.719 0.295 . . . . 10.0 110.535 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' B' ' 68' ' ' HIS . . . 58.01 52.53 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.462 -0.79 . . . . 10.0 112.307 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 -49.21 3.23 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.747 -0.74 . . . . 10.0 113.742 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.587 ' NH2' ' HA ' ' B' ' 70' ' ' VAL . 56.1 mtt180 -84.26 140.85 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.998 0.399 . . . . 10.0 111.724 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . 0.457 ' HG3' HD13 ' D' ' 44' ' ' ILE . 12.1 tt0 -76.23 150.3 37.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.464 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' D' ' 43' ' ' LEU . 86.3 mt -94.15 143.61 26.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.301 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.488 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 85.0 mt-10 -98.43 137.78 36.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.929 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . 0.523 ' HA ' ' HB ' ' D' ' 23' ' ' ILE . 4.3 m-20 -59.81 -42.04 92.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.27 39.05 2.61 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.439 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.488 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 39.1 mmt180 -134.54 156.6 48.36 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' D' ' 58' ' ' ASP . 39.9 p -93.6 170.66 9.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.292 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.88 -24.39 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.17 0.51 . . . . 10.0 110.427 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -22.73 42.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.182 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' D' ' 55' ' ' THR . 1.0 OUTLIER -58.65 -40.77 84.38 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.462 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -108.9 8.64 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.03 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.8 64.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 10.0 113.533 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -97.84 114.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.76 -1.2 . . . . 10.0 107.76 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -99.51 -151.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.583 ' HE3' ' HG3' ' D' ' 64' ' ' GLU . 12.8 tptt -86.23 143.72 27.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.807 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' HE3' ' D' ' 63' ' ' LYS . 36.2 mt-10 69.57 7.15 6.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.525 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 16.2 m -73.39 128.35 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.911 0.386 . . . . 10.0 110.1 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 88.6 m -92.95 130.28 38.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.559 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -96.8 143.28 27.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.853 -0.795 . . . . 10.0 108.853 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . 0.758 ' HB2' ' HB ' ' D' ' 44' ' ' ILE . 33.7 m80 -102.39 139.45 37.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.442 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.9 141.7 50.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 10.0 110.659 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.569 ' HA ' HD21 ' D' ' 8' ' ' LEU . 1.4 m -134.5 154.86 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.345 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 36.3 tp -69.61 119.42 13.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 10.0 111.685 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -110.25 63.41 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.155 0.502 . . . . 10.0 111.186 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 mt -118.01 -85.65 0.64 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.555 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -135.29 97.14 3.63 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.898 0.38 . . . . 10.0 111.376 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.6 89.28 1.58 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.662 ' HA2' ' NZ ' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.132 0 C-N-CA 121.065 -0.588 . . . . 10.0 113.233 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.835 0.35 . . . . 10.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -93.44 120.42 33.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.378 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -103.59 162.04 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.938 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' E' ' 64' ' ' GLU . 67.1 m-85 -121.81 109.14 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.097 0.475 . . . . 10.0 111.275 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.75 128.66 48.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.657 ' HD2' HG23 ' E' ' 66' ' ' THR . 88.7 mttt -123.98 139.22 54.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.054 0.454 . . . . 10.0 111.229 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . 0.503 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 0.9 OUTLIER -94.18 174.59 7.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.79 13.64 0.26 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . 0.844 HG21 ' HA2' ' B' ' 75' ' ' GLY . 15.2 t -119.4 -4.11 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.492 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -11.16 60.43 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.779 -0.724 . . . . 10.0 113.615 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.985 ' HZ2' ' HA2' ' B' ' 76' ' ' GLY . 81.8 tttt -59.68 132.91 55.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.599 0.238 . . . . 10.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.03 127.61 49.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.505 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tp -121.98 143.54 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.294 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -98.74 135.47 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.094 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' E' ' 29' ' ' LYS . 77.2 mt -136.28 130.07 32.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.637 0.256 . . . . 10.0 111.535 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -90.37 103.71 16.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.725 HG11 HG22 ' E' ' 26' ' ' VAL . 2.6 t -132.38 142.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.343 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.6 146.49 50.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.99 -20.46 67.58 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.894 2.396 . . . . 10.0 113.465 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.56 -10.18 59.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.94 155.25 38.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.894 0.378 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.55 165.26 13.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.059 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' E' ' 59' ' ' TYR . 44.0 mm -58.99 -39.43 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.544 0.212 . . . . 10.0 111.386 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.97 -36.4 77.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 10.0 110.679 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.89 -38.22 88.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.255 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.725 HG22 HG11 ' E' ' 17' ' ' VAL . 21.5 t -67.99 -35.84 73.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.38 -36.22 83.42 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.29 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.06 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.687 . . . . 10.0 110.574 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.586 ' HD2' HG22 ' E' ' 17' ' ' VAL . 40.9 mttm -67.4 -36.79 81.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.693 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.66 -33.23 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.476 0.655 . . . . 10.0 109.321 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -71.44 -16.22 62.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.809 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -90.36 -49.67 6.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.901 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.1 -47.62 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 10.0 111.5 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.2 7.82 34.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.695 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.38 122.67 75.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 110.351 -0.24 . . . . 10.0 110.351 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.7 Cg_exo -60.87 145.15 99.45 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.797 2.331 . . . . 10.0 111.517 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' E' ' 37' ' ' PRO . 53.2 Cg_exo -54.78 -30.56 68.03 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.086 2.524 . . . . 10.0 112.724 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.45 -24.43 63.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.023 0.44 . . . . 10.0 110.932 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -95.66 -6.14 40.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.371 0.605 . . . . 10.0 109.554 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -93.27 122.68 35.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.784 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 31.0 ttm180 -130.67 104.17 7.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -96.74 136.63 37.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.128 0.489 . . . . 10.0 111.753 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -126.27 120.42 56.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.677 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -111.3 108.56 18.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.551 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.28 37.43 23.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.858 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.59 2.18 87.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.842 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.662 ' NZ ' ' HA2' ' D' ' 76' ' ' GLY . 16.6 mtmm -107.65 115.88 30.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.754 0.311 . . . . 10.0 110.492 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 123.29 20.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.733 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.47 138.67 43.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.756 0.312 . . . . 10.0 110.761 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -88.47 171.47 10.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.637 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -87.48 -49.65 7.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.818 0.342 . . . . 10.0 111.725 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.68 51.17 4.53 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.22 -0.514 . . . . 10.0 113.57 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -145.07 166.37 25.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 60.0 p -107.39 178.72 4.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.697 0.284 . . . . 10.0 110.916 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.22 -29.85 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 10.0 110.675 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -69.57 -19.51 63.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.169 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' E' ' 55' ' ' THR . 1.0 OUTLIER -61.54 -29.43 70.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.658 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.45 ' HE2' HD11 ' E' ' 23' ' ' ILE . 1.4 m-85 -116.59 20.25 14.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.552 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 p30 46.09 45.16 12.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.202 -0.908 . . . . 10.0 113.413 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -69.94 113.7 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.978 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -97.43 -160.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.821 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -81.52 147.44 29.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.527 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' E' ' 4' ' ' PHE . 3.4 mp0 65.14 29.49 11.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.856 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -82.09 142.9 31.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . 0.657 HG23 ' HD2' ' E' ' 6' ' ' LYS . 23.7 m -103.53 113.44 26.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.934 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.66 127.43 48.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.937 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -89.54 130.15 35.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.681 0.277 . . . . 10.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -116.41 120.92 40.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.688 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.26 -175.32 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -91.17 132.14 36.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 10.0 111.339 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 50.6 ttt180 -114.15 130.55 56.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.91 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.888 0.375 . . . . 10.0 111.124 -179.661 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.771 0.319 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -100.59 104.54 15.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.464 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.411 HD12 HD13 ' B' ' 67' ' ' LEU . 37.2 pt -87.28 163.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -110.47 144.56 39.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.869 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.3 t -127.72 121.86 57.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 9.1 ttmm -112.92 136.59 52.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.909 0.385 . . . . 10.0 111.431 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -86.36 -165.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.091 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.66 -37.27 56.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 10.0 111.08 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -52.54 32.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.088 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.74 -20.11 0.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.43 -0.89 . . . . 10.0 112.673 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 0.2 OUTLIER -48.96 122.54 5.9 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 122.822 0.449 . . . . 10.0 111.662 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.9 m -119.56 113.18 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.534 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 pt -101.92 158.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.926 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.49 141.91 41.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.532 HD11 HG12 ' B' ' 30' ' ' ILE . 32.7 mt -137.09 121.04 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -82.35 103.45 11.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.6 -0.889 . . . . 10.0 108.6 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -133.16 167.52 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.124 0.487 . . . . 10.0 111.242 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 81.4 mm-40 -107.68 158.79 32.48 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.35 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.03 -28.51 86.23 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.191 1.927 . . . . 10.0 111.492 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -3.74 48.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.519 -0.764 . . . . 10.0 111.815 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.562 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 124.8 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 10.0 110.386 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -76.31 148.15 37.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.945 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 54' ' ' ARG . 47.4 mm -53.15 -45.72 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.607 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.771 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 6.3 pt-20 -65.39 -27.51 68.6 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -75.24 -39.18 60.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 41.3 t -64.95 -35.01 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.2 mttt -59.35 -42.67 92.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.812 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.77 76.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.329 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -66.61 -40.84 89.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.451 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.532 HG12 HD11 ' B' ' 15' ' ' LEU . 68.9 mt -67.8 -36.3 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.633 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -63.16 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.56 -37.18 71.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -97.37 -40.78 8.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -91.19 -22.93 20.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.253 0.464 . . . . 10.0 112.253 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 11.04 83.99 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.82 -0.705 . . . . 10.0 113.411 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -92.97 119.77 67.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.4 Cg_endo -60.61 140.24 90.07 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.983 2.456 . . . . 10.0 112.107 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.35 -27.83 86.0 Favored 'Trans proline' 0 N--CA 1.477 0.531 0 C-N-CA 123.538 2.825 . . . . 10.0 113.724 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.468 ' OD1' ' HB2' ' B' ' 37' ' ' PRO . 4.5 p-10 -69.41 -17.17 63.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.704 0.288 . . . . 10.0 111.662 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -112.35 13.41 20.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.056 0.455 . . . . 10.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -103.14 121.53 42.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 36.2 ttm180 -120.91 112.07 18.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.525 -0.546 . . . . 10.0 109.525 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 mt -99.93 116.09 31.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.768 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.74 112.66 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.357 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' D' ' 46' ' ' ALA . 62.2 t80 -110.84 120.06 41.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.778 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.41 16.8 7.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.387 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.78 10.96 48.41 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 48' ' ' ARG . 55.5 mtt180 -119.7 134.14 55.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.641 0.258 . . . . 10.0 110.757 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -80.78 119.37 23.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -75.43 125.84 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.226 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -79.63 143.1 34.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.269 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.771 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 5.5 m-20 -55.07 -39.71 69.55 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.41 15.9 32.53 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.802 -0.713 . . . . 10.0 114.444 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.458 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.2 mmt180 -111.8 158.42 19.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.303 0.552 . . . . 10.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -103.95 173.97 6.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.07 -40.84 78.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 10.0 110.71 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -17.56 63.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.316 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.1 -36.25 69.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.248 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -94.89 5.43 51.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 10.0 111.312 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.8 t30 62.5 45.56 6.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.501 0.667 . . . . 10.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.81 103.4 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.426 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -92.09 178.81 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.377 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -64.94 161.62 18.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.025 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.3 31.18 13.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.421 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -116.09 141.45 48.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.824 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.7 m -111.69 140.45 46.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.199 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.411 HD13 HD12 ' B' ' 3' ' ' ILE . 8.1 mp -105.65 146.85 29.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' D' ' 46' ' ' ALA . 30.0 m170 -108.37 127.95 54.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.939 0.4 . . . . 10.0 111.545 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -107.11 125.09 50.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.761 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' B' ' 42' ' ' ARG . 19.8 m -125.85 166.5 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.063 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mp -72.42 115.53 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -96.85 99.27 10.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.446 179.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -122.97 144.66 49.1 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.088 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 106.41 11.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.488 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.55 96.42 0.69 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.646 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.603 ' HA2' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.771 -0.728 . . . . 10.0 111.837 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.89 0.376 . . . . 10.0 110.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.495 ' H ' ' HG3' ' D' ' 63' ' ' LYS . 80.7 mt-30 -103.63 140.88 36.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.293 -0.262 . . . . 10.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 pt -126.59 164.17 27.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -122.31 123.88 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.493 -0.322 . . . . 10.0 110.396 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.38 133.49 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.756 0.312 . . . . 10.0 110.98 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -103.92 103.61 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.105 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.3 p -75.52 172.55 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.472 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 52.7 mt -67.16 -25.97 66.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.939 0.4 . . . . 10.0 110.934 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.94 -13.06 60.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.495 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.17 8.65 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.59 -0.814 . . . . 10.0 111.636 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -113.2 113.65 25.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -85.04 103.9 14.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.807 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 pt -104.48 150.46 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.54 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.76 129.69 55.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 30' ' ' ILE . 70.6 mt -118.36 152.24 36.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.9 110.36 22.4 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.101 -1.074 . . . . 10.0 108.101 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.03 -171.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.412 0.625 . . . . 10.0 111.734 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 0.7 OUTLIER -143.32 159.82 53.92 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.201 -0.909 . . . . 10.0 108.676 179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -61.31 -24.0 77.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.122 1.881 . . . . 10.0 111.434 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -1.83 56.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.3 OUTLIER -72.77 144.7 47.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.94 153.19 17.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.406 HD12 HD13 ' D' ' 50' ' ' LEU . 49.2 mm -55.32 -43.07 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 10.0 111.032 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -63.79 -31.13 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.496 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -75.89 -39.28 56.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.087 0.47 . . . . 10.0 110.232 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . 0.551 HG21 HD21 ' D' ' 56' ' ' LEU . 99.5 t -61.95 -41.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.857 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -60.76 -34.92 75.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.484 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.75 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.872 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.68 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.381 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . 0.564 HG12 HD11 ' D' ' 15' ' ' LEU . 78.6 mt -68.22 -40.05 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.06 -26.97 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.264 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -74.15 -19.63 60.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -104.47 -57.35 2.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -84.32 -54.09 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 10.0 110.907 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.75 3.18 12.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 10.0 112.995 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -74.67 120.3 80.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.724 0.262 . . . . 10.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 46.7 Cg_exo -58.32 133.75 57.02 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.757 2.304 . . . . 10.0 111.941 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 48.7 Cg_exo -57.2 -26.69 71.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.259 2.639 . . . . 10.0 112.696 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.49 -28.59 69.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.557 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -101.2 9.77 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -98.72 136.76 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.868 0.366 . . . . 10.0 111.813 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -133.21 91.14 2.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB3' HD12 ' D' ' 50' ' ' LEU . 24.8 mt -75.76 126.44 31.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.408 -0.815 . . . . 10.0 113.035 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' D' ' 49' ' ' GLN . 39.8 mm -119.06 127.88 75.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.786 ' HB3' HD21 ' D' ' 50' ' ' LEU . 83.7 t80 -130.34 126.71 37.83 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.137 -0.319 . . . . 10.0 110.137 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' B' ' 45' ' ' PHE . . . 71.43 -37.5 0.39 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.924 0.765 . . . . 10.0 112.841 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.61 -32.23 0.23 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.162 -0.542 . . . . 10.0 112.188 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' D' ' 48' ' ' ARG . 50.4 mtt180 -95.99 171.27 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 10.0 111.278 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' D' ' 44' ' ' ILE . 7.2 tt0 -85.37 149.08 25.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.435 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' D' ' 45' ' ' PHE . 78.2 mt -94.2 126.83 39.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.583 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.6 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.38 -31.56 61.9 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.735 0.643 . . . . 10.0 112.735 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.84 32.09 4.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 10.0 114.248 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -133.04 158.45 42.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.481 0.64 . . . . 10.0 111.56 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.01 162.35 14.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.007 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.551 HD21 HG21 ' D' ' 26' ' ' VAL . 39.4 mt -65.42 -39.62 92.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.825 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -62.32 -27.07 68.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 10.0 111.559 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.95 -29.2 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.203 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -99.2 8.11 45.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.747 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 57.3 t30 66.05 29.22 10.14 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.244 0.545 . . . . 10.0 111.129 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.37 123.38 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -118.44 -158.49 0.72 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.294 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' D' ' 2' ' ' GLN . 44.3 tttt -79.51 135.54 36.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.804 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 72.55 18.57 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -74.41 139.02 43.73 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -95.36 126.67 40.83 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.537 0.569 . . . . 10.0 112.537 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' D' ' 43' ' ' LEU . 94.6 mt -109.11 130.04 55.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.566 -0.901 . . . . 10.0 108.566 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -99.96 136.72 39.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.812 0.339 . . . . 10.0 111.481 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 69' ' ' LEU . 14.3 mt -108.24 118.95 38.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.0 173.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.964 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.25 134.23 47.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.569 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.54 69.37 1.23 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.46 0.648 . . . . 10.0 109.969 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 33.5 tp -155.95 145.46 20.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.795 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -70.08 -73.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 10.0 109.833 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.35 -167.63 34.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.919 -0.873 . . . . 10.0 110.919 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' E' ' 46' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 121.112 -0.565 . . . . 10.0 112.99 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.146 0.498 . . . . 10.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -84.98 127.45 34.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.786 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -128.48 167.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.199 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -123.78 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 10.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.23 120.94 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.702 ' HG2' HG23 ' E' ' 12' ' ' THR . 64.3 mttt -112.79 147.14 37.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.207 0.527 . . . . 10.0 111.583 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 17.0 p -116.13 163.42 15.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.525 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -71.2 -15.37 62.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 10.0 111.507 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -17.69 38.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.977 0.417 . . . . 10.0 111.157 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.0 22.18 9.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.595 -0.812 . . . . 10.0 113.132 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.603 ' NZ ' ' HA2' ' B' ' 76' ' ' GLY . 0.0 OUTLIER -103.46 112.13 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . 0.702 HG23 ' HG2' ' E' ' 6' ' ' LYS . 3.8 m -103.33 130.9 50.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.583 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -126.61 136.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 10.0 110.903 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -101.75 133.04 47.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.213 -0.448 . . . . 10.0 109.978 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -138.6 143.37 39.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.808 0.337 . . . . 10.0 110.699 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -102.78 111.28 23.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.551 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.706 HG11 HG22 ' E' ' 26' ' ' VAL . 0.3 OUTLIER -126.78 179.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.87 -0.419 . . . . 10.0 109.87 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . 0.502 ' H ' HG12 ' E' ' 17' ' ' VAL . 80.5 mm-40 -110.4 147.95 37.41 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 10.0 109.875 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' E' ' 18' ' ' GLU . 32.7 Cg_exo -60.49 -29.81 89.43 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.483 2.122 . . . . 10.0 111.947 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 11.03 15.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.626 . . . . 10.0 111.918 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 0.4 OUTLIER -88.32 132.13 34.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 10.0 111.544 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.446 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.2 OUTLIER -74.02 149.96 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.583 -0.735 . . . . 10.0 110.637 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 29.2 mm -52.19 -44.38 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.759 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . 0.896 ' HG3' ' HB3' ' E' ' 52' ' ' ASP . 24.2 mt-10 -60.74 -31.25 70.57 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.033 0.383 . . . . 10.0 112.033 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -78.76 -36.24 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 10.0 109.917 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.706 HG22 HG11 ' E' ' 17' ' ' VAL . 60.2 t -65.66 -41.41 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . 0.546 ' HD3' ' HB3' ' E' ' 38' ' ' PRO . 87.8 mttt -60.11 -37.22 79.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.732 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.73 96.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.994 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -63.97 -39.14 93.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.771 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.91 -41.87 94.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.941 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.0 -39.38 83.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.792 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.45 -42.28 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -68.75 -49.74 56.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.75 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.25 -103.0 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.281 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.0 28.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.813 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -108.84 117.18 54.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.484 -0.562 . . . . 10.0 109.484 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 31.8 Cg_exo -60.07 144.02 99.51 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.873 2.382 . . . . 10.0 112.1 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.546 ' HB3' ' HD3' ' E' ' 27' ' ' LYS . 76.1 Cg_exo -53.25 -27.67 39.15 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.398 2.732 . . . . 10.0 112.321 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.77 -27.0 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.954 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -102.05 0.5 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.281 0.563 . . . . 10.0 110.286 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -96.27 121.92 38.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.459 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 72' ' ' ARG . 21.2 ttm180 -119.06 101.8 8.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.577 -0.898 . . . . 10.0 108.577 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.14 124.05 32.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.883 -0.599 . . . . 10.0 112.023 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.09 129.56 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.406 -0.816 . . . . 10.0 109.732 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' E' ' 50' ' ' LEU . 69.9 t80 -129.69 128.44 42.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . 0.449 ' O ' ' HA3' ' D' ' 76' ' ' GLY . . . 60.22 22.57 11.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.584 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.44 -6.52 82.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.936 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.403 ' HZ2' ' HA3' ' D' ' 76' ' ' GLY . 5.5 mptt -107.23 144.86 33.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.651 -0.323 . . . . 10.0 110.992 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -79.96 138.09 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 10.0 111.102 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' E' ' 45' ' ' PHE . 28.7 mt -93.06 119.85 32.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.558 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -67.39 129.91 41.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.955 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . 0.896 ' HB3' ' HG3' ' E' ' 24' ' ' GLU . 1.2 m-20 -54.64 -32.55 59.19 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 113.013 0.745 . . . . 10.0 113.013 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.41 6.09 70.2 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 114.646 0.618 . . . . 10.0 114.646 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . 0.445 ' O ' HG12 ' E' ' 23' ' ' ILE . 67.8 mtp180 -112.44 164.71 12.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 117.692 0.746 . . . . 10.0 110.654 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' E' ' 58' ' ' ASP . 68.1 p -101.86 178.39 4.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.557 0.218 . . . . 10.0 111.175 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.01 -36.1 81.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.12 0.486 . . . . 10.0 111.021 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -69.07 -19.03 64.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.48 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' E' ' 55' ' ' THR . 3.0 m-20 -66.53 -24.67 66.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 10.0 110.596 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.436 ' OH ' ' HD3' ' E' ' 54' ' ' ARG . 32.4 m-85 -118.3 20.64 13.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.001 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p30 48.04 38.19 9.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.944 -1.025 . . . . 10.0 113.745 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -78.25 115.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.494 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -98.83 -164.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.745 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 38.6 ttpt -71.74 148.52 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.517 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 47.1 mt-10 65.84 24.11 11.35 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.236 0.828 . . . . 10.0 113.236 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 52.1 m -79.23 141.9 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.644 0.259 . . . . 10.0 110.601 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -100.37 107.7 19.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.905 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.39 143.16 29.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.233 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -103.0 123.9 47.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 10.0 110.932 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -108.42 120.91 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.601 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.459 HG12 HD22 ' E' ' 8' ' ' LEU . 27.2 m -121.63 176.56 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.832 179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 tp -74.54 141.44 44.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.777 ' HB2' ' HB2' ' E' ' 42' ' ' ARG . 58.0 ttt180 -124.35 126.04 45.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.045 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.181 179.592 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -78.24 111.29 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.718 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 pt -107.38 151.6 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.743 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -115.37 135.49 54.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.25 126.75 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' B' ' 11' ' ' ARG . 2.2 tttm -108.05 122.73 47.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.571 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.18 175.03 8.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.638 0.256 . . . . 10.0 111.522 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.43 ' H ' HD23 ' B' ' 8' ' ' LEU . 1.7 pt? -58.25 -20.55 42.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.545 0.572 . . . . 10.0 112.545 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -38.43 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 10.0 110.66 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.03 -9.63 5.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.347 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 16.1 ttm180 -62.0 130.64 46.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.63 0.252 . . . . 10.0 110.544 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.21 125.01 51.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.393 -0.367 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 pt -118.91 155.96 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.813 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.76 143.21 39.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.192 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -138.76 157.72 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.912 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.88 113.53 26.82 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.23 168.48 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 10.0 111.085 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -111.62 152.91 44.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.4 -29.8 85.66 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.496 2.131 . . . . 10.0 111.202 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.9 p -79.09 -0.36 31.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.114 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -80.88 138.71 36.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.853 0.358 . . . . 10.0 110.588 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.73 157.37 21.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.53 -36.12 57.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.568 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.62 -25.5 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.238 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -76.35 -39.29 54.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.3 t -64.43 -39.79 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.743 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -57.33 -43.46 83.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.979 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.47 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.288 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.18 -41.79 94.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.465 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.0 mt -68.67 -34.49 65.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.33 0.586 . . . . 10.0 109.586 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.521 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.0 tt0 -68.22 -32.32 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.248 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.8 -39.66 23.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.043 -0.526 . . . . 10.0 112.024 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -78.09 -63.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.15 -40.3 19.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.049 0.388 . . . . 10.0 112.049 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.57 40.23 3.46 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.181 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 65.3 mt -106.2 126.17 31.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 8.0 Cg_endo -50.81 124.72 14.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.484 2.79 . . . . 10.0 112.312 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.25 -29.96 87.34 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.986 2.457 . . . . 10.0 112.395 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -75.86 -8.04 55.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.628 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -118.73 7.34 11.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.497 . . . . 10.0 110.466 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.8 mt-30 -87.6 106.87 18.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.457 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.422 ' HB3' HG23 ' B' ' 70' ' ' VAL . 5.2 ttt180 -101.48 89.75 3.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.68 116.38 22.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.548 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -111.68 129.41 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.893 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.71 ' HB3' HD21 ' B' ' 50' ' ' LEU . 46.3 t80 -126.29 134.76 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.729 ' HA ' ' CE1' ' D' ' 68' ' ' HIS . . . 70.22 -66.14 0.29 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.855 0.722 . . . . 10.0 110.934 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.73 10.13 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.557 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -139.25 163.84 31.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.313 -0.255 . . . . 10.0 110.313 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.33 155.1 22.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 10.0 110.251 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.9 mt -99.21 142.0 31.26 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -80.0 145.14 32.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.01 -45.12 91.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.43 48.04 3.96 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.015 -0.612 . . . . 10.0 113.567 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -139.72 155.71 47.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.7 176.42 5.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.79 0.328 . . . . 10.0 110.595 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 66.0 mt -71.72 -37.71 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.058 0.456 . . . . 10.0 110.304 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -25.92 67.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.187 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -66.86 -21.25 66.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.711 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -115.05 13.19 16.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.751 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.23 29.07 11.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.884 -0.598 . . . . 10.0 112.34 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.414 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 78.0 mt -75.19 130.57 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -122.12 -164.84 1.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.053 0.454 . . . . 10.0 111.749 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 ttp-105 -74.13 139.26 44.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.977 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 66.14 14.98 9.91 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.129 0.789 . . . . 10.0 113.129 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -77.86 121.2 23.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -86.94 126.62 34.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.43 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.25 156.84 23.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.442 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 79.8 m-70 -112.73 135.9 52.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.148 0.499 . . . . 10.0 111.907 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -114.47 104.0 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.246 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.422 HG23 ' HB3' ' B' ' 42' ' ' ARG . 17.4 m -102.39 173.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.39 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.17 146.43 24.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.841 0.353 . . . . 10.0 111.235 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -118.01 106.8 13.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.601 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.79 144.57 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.53 150.55 47.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.19 -64.9 0.48 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.568 ' HA2' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.129 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.949 0.404 . . . . 10.0 110.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.422 ' HB3' HG22 ' D' ' 14' ' ' THR . 39.8 mt-30 -95.61 114.61 26.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.726 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -98.53 152.59 4.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.589 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' D' ' 66' ' ' THR . 98.3 m-85 -112.82 126.07 55.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.876 0.37 . . . . 10.0 110.876 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' D' ' 13' ' ' ILE . 46.7 t -118.52 131.62 70.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.341 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -95.59 112.34 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -71.14 178.83 3.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.989 0.423 . . . . 10.0 111.528 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.86 -21.93 63.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 10.0 110.155 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -8.13 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.6 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.7 11.25 66.13 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.903 -0.665 . . . . 10.0 111.847 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -82.81 143.48 30.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.377 . . . . 10.0 110.275 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -100.87 110.56 22.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.962 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.465 ' CG1' ' HB ' ' D' ' 5' ' ' VAL . 47.6 pt -102.05 142.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.724 0.297 . . . . 10.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . 0.422 HG22 ' HB3' ' D' ' 2' ' ' GLN . 2.3 m -109.38 127.22 54.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.136 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' D' ' 29' ' ' LYS . 69.6 mt -128.65 132.81 48.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.673 0.273 . . . . 10.0 111.691 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.6 112.48 24.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -134.65 169.87 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 10.0 111.867 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -105.03 152.63 39.69 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.01 -21.52 73.23 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.295 1.997 . . . . 10.0 111.687 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -90.59 6.2 44.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.703 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.74 137.12 37.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 10.0 110.868 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . 0.476 ' HB ' ' HG2' ' D' ' 24' ' ' GLU . 0.0 OUTLIER -86.46 165.33 16.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.154 -0.476 . . . . 10.0 109.817 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.581 HG23 ' HE3' ' D' ' 27' ' ' LYS . 0.4 OUTLIER -58.69 -33.1 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.857 0.36 . . . . 10.0 111.336 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . 0.476 ' HG2' ' HB ' ' D' ' 22' ' ' THR . 7.6 pt-20 -62.5 -35.47 79.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.126 0.488 . . . . 10.0 110.517 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -67.92 -37.13 81.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.43 -39.29 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' D' ' 23' ' ' ILE . 98.7 mttt -56.89 -45.44 82.59 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.381 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.74 84.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.473 -0.785 . . . . 10.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD22 ' D' ' 15' ' ' LEU . 13.6 mmtt -65.6 -41.7 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.364 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.15 -35.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.213 0.53 . . . . 10.0 110.556 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 59.6 tt0 -73.34 -30.82 63.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.93 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -74.45 -24.51 59.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.152 -0.476 . . . . 10.0 112.259 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -104.76 -59.61 1.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . 0.401 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.4 tp10 -84.59 -23.08 29.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 10.0 111.726 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 80.33 25.24 57.55 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.562 -0.827 . . . . 10.0 113.129 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' D' ' 34' ' ' GLU . 73.8 mt -85.22 121.36 73.92 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 51.6 Cg_exo -56.11 126.13 21.37 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.859 2.372 . . . . 10.0 111.844 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.475 ' HB3' ' HB3' ' D' ' 27' ' ' LYS . 50.0 Cg_exo -55.85 -25.47 52.56 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.184 2.59 . . . . 10.0 112.647 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -61.62 -37.17 82.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.319 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -97.5 5.46 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.052 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . 0.526 ' OE1' ' HA ' ' D' ' 27' ' ' LYS . 55.5 mt-30 -84.3 112.96 20.77 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' D' ' 49' ' ' GLN . 27.5 ttp85 -128.72 108.55 10.56 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 67' ' ' LEU . 82.3 mt -97.36 126.94 42.91 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mm -111.47 128.04 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.254 -0.885 . . . . 10.0 108.801 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.624 ' HB2' HD21 ' D' ' 50' ' ' LEU . 22.2 t80 -106.76 88.57 2.78 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.47 49.5 14.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.599 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.1 -34.16 5.27 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.828 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.442 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -88.51 129.59 35.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.197 0.498 . . . . 10.0 110.475 -179.52 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . 0.407 ' OE1' ' HD2' ' D' ' 42' ' ' ARG . 23.9 tt0 -80.49 141.83 34.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' D' ' 45' ' ' PHE . 44.8 mt -87.4 130.54 34.62 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.334 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 77.4 mt-10 -77.32 164.54 25.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.056 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . 0.451 ' HA ' ' CG2' ' D' ' 23' ' ' ILE . 9.1 t70 -76.43 -44.3 36.46 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.265 0.469 . . . . 10.0 112.265 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.54 47.59 1.91 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.666 -0.778 . . . . 10.0 114.25 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.5 mmt180 -129.8 163.14 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -113.66 163.28 15.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.619 0.247 . . . . 10.0 111.276 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.588 ' HG ' HD12 ' D' ' 61' ' ' ILE . 6.1 mp -57.22 -34.43 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -64.5 -26.71 68.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.76 -42.98 69.73 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.124 0.488 . . . . 10.0 111.05 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . 0.453 ' HA ' ' HE3' ' B' ' 6' ' ' LYS . 89.5 m-85 -88.73 7.52 33.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.685 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 t30 59.04 47.53 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 10.0 112.332 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . 0.588 HD12 ' HG ' ' D' ' 56' ' ' LEU . 62.2 mt -89.27 122.3 40.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.628 -0.879 . . . . 10.0 108.628 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -126.13 -123.2 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.136 0.493 . . . . 10.0 111.998 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -95.1 134.71 37.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.142 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' D' ' 4' ' ' PHE . 39.2 mt-10 65.46 19.71 11.61 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.613 0.968 . . . . 10.0 113.613 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -67.45 131.78 46.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.396 -0.594 . . . . 10.0 109.396 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' D' ' 4' ' ' PHE . 7.1 m -101.53 125.9 48.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.101 0.477 . . . . 10.0 111.758 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . 0.648 HD13 HD13 ' D' ' 43' ' ' LEU . 11.5 mt -108.19 134.5 50.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.15 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . 0.729 ' CE1' ' HA ' ' B' ' 46' ' ' ALA . 47.1 m80 -98.81 112.16 24.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.507 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.1 114.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.81 158.61 16.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.469 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.6 145.84 36.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -91.71 118.74 30.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 19.0 tp -137.89 120.61 16.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.626 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' D' ' 74' ' ' ARG . 8.1 ptm85 -117.83 164.87 14.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.01 76.74 0.23 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.785 -0.722 . . . . 10.0 112.098 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.793 ' HA2' ' HZ2' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.436 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.551 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 34.5 ttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.901 0.381 . . . . 10.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 35.7 tt0 -85.91 108.32 18.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.881 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 pt -100.0 164.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.164 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' E' ' 66' ' ' THR . 85.5 m-85 -113.62 122.18 46.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.962 0.41 . . . . 10.0 111.542 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.436 HG21 HD12 ' E' ' 15' ' ' LEU . 55.3 t -106.68 122.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.755 -0.832 . . . . 10.0 108.755 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' E' ' 11' ' ' LYS . 97.0 mttt -118.64 148.98 42.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.276 0.56 . . . . 10.0 111.998 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' E' ' 11' ' ' LYS . 18.9 p -112.17 177.9 4.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.652 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.576 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.6 OUTLIER -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 1.5 t -75.98 -13.67 60.24 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.915 0.388 . . . . 10.0 111.169 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.61 1.3 49.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.556 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.568 ' NZ ' ' HA2' ' B' ' 76' ' ' GLY . 2.1 tptt -64.51 126.27 27.33 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -118.5 119.14 33.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.16 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 tt -119.46 146.34 24.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -99.8 142.08 31.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . 0.648 HD11 HG12 ' E' ' 30' ' ' ILE . 14.5 mt -134.26 134.55 42.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.463 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -102.1 98.27 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.865 0.364 . . . . 10.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.547 HG12 ' HD2' ' E' ' 29' ' ' LYS . 16.5 m -129.78 175.35 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.479 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -111.26 154.04 43.79 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.73 -26.99 68.24 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.55 2.167 . . . . 10.0 111.639 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.45 2.12 30.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.797 -0.638 . . . . 10.0 112.033 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.94 152.04 23.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.328 . . . . 10.0 110.53 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 2.2 p -89.32 162.37 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.174 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 36.6 mm -62.63 -33.6 60.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.961 0.41 . . . . 10.0 109.927 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.88 -36.41 81.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.224 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -40.06 70.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.846 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.553 HG21 HD11 ' E' ' 56' ' ' LEU . 57.4 t -62.94 -41.67 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' E' ' 38' ' ' PRO . 77.7 mttt -58.46 -37.94 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.776 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.44 95.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.363 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.547 ' HD2' HG12 ' E' ' 17' ' ' VAL . 24.5 mttm -67.82 -32.98 73.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.866 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . 0.648 HG12 HD11 ' E' ' 15' ' ' LEU . 60.6 mt -65.46 -36.86 78.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -73.5 -32.33 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.844 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -71.22 -33.55 69.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.577 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -88.09 -45.79 9.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -97.29 -65.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 10.0 111.678 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.92 -13.08 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.062 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' E' ' 37' ' ' PRO . 11.7 mt -61.2 124.89 82.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 122.423 0.289 . . . . 10.0 110.776 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' E' ' 38' ' ' PRO . 44.1 Cg_exo -59.01 134.44 59.94 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.691 2.26 . . . . 10.0 111.591 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.654 ' HB3' ' HB3' ' E' ' 27' ' ' LYS . 57.7 Cg_exo -53.88 -36.51 83.44 Favored 'Trans proline' 0 N--CA 1.473 0.31 0 C-N-CA 123.592 2.861 . . . . 10.0 113.942 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . 0.473 ' O ' ' HD2' ' E' ' 72' ' ' ARG . 14.0 t70 -74.05 -11.17 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.503 . . . . 10.0 111.585 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.5 3.53 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.788 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.3 mt-30 -99.14 135.67 40.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.918 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -127.52 98.71 5.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 74.9 mt -88.02 117.82 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.453 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mt -109.37 126.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.125 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.755 ' HB3' HD21 ' E' ' 50' ' ' LEU . 82.9 t80 -127.13 123.51 36.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 18.55 10.65 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.69 -0.686 . . . . 10.0 112.838 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.87 -5.64 43.1 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.409 -0.9 . . . . 10.0 113.696 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.793 ' HZ2' ' HA2' ' D' ' 76' ' ' GLY . 45.7 tttp -124.93 138.96 54.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.09 0.445 . . . . 10.0 111.949 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.32 132.57 45.88 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' E' ' 45' ' ' PHE . 24.0 mt -77.06 127.78 33.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.93 0.395 . . . . 10.0 110.968 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.53 134.11 45.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.816 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . 0.428 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 0.8 OUTLIER -54.12 -46.09 72.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.917 0.71 . . . . 10.0 112.917 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.37 45.62 3.27 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.101 -0.571 . . . . 10.0 113.924 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -146.09 166.17 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 39.3 p -105.44 178.05 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.693 0.282 . . . . 10.0 111.123 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . 0.553 HD11 HG21 ' E' ' 26' ' ' VAL . 8.8 mp -72.47 -39.18 67.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 10.0 110.699 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 6.7 m -65.58 -20.96 66.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' E' ' 55' ' ' THR . 2.6 m-20 -60.91 -36.27 78.85 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.99 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -104.63 21.57 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.589 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p30 46.69 44.5 13.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.339 -0.846 . . . . 10.0 113.215 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -70.92 116.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.331 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -90.79 179.52 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.092 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.551 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 19.1 ttpp -67.39 139.14 57.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.406 ' OE2' ' HG2' ' E' ' 63' ' ' LYS . 8.7 mp0 69.41 34.19 2.94 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.408 0.892 . . . . 10.0 113.408 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 59.5 m -84.62 157.15 21.26 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.745 0.307 . . . . 10.0 111.064 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 14.0 m -109.36 129.44 55.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.177 0.513 . . . . 10.0 111.911 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . 0.425 HD21 HD11 ' E' ' 50' ' ' LEU . 10.6 mt -111.76 131.72 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.923 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.42 112.65 24.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.31 122.92 43.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.115 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . . . . . . . . . 18.9 m -130.74 170.56 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.64 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 tp -74.15 122.57 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.527 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' E' ' 39' ' ' ASP . 1.0 OUTLIER -78.01 123.14 26.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.372 179.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 68.2 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.751 179.773 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.975 0.417 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.53 121.17 27.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.5 pt -114.3 151.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.049 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HB2' HG23 ' B' ' 66' ' ' THR . 64.8 m-85 -107.79 130.93 54.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.7 114.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.966 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.703 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 0.4 OUTLIER -101.38 129.0 47.31 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.181 -179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.23 -171.93 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.526 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.97 -14.95 63.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.855 0.36 . . . . 10.0 111.491 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.518 ' HB ' ' H ' ' B' ' 10' ' ' GLY . 0.3 OUTLIER -100.48 -132.82 0.27 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.345 179.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.703 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . -110.84 -12.86 15.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.681 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -61.96 132.87 54.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.17 0.509 . . . . 10.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -135.03 116.62 14.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.9 pt -100.15 169.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.949 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -128.26 136.29 50.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.469 HD21 ' HD2' ' B' ' 33' ' ' LYS . 80.9 mt -135.25 148.47 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.706 0.288 . . . . 10.0 111.011 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.89 122.54 33.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.202 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 m -134.92 175.96 9.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.896 0.379 . . . . 10.0 111.007 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 38.4 mm-40 -114.06 150.38 43.48 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.4 -34.52 94.63 Favored 'Trans proline' 0 CA--C 1.529 0.245 0 C-N-CA 122.422 2.081 . . . . 10.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -96.54 22.75 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.548 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -77.16 136.81 38.61 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.63 144.49 33.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.382 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.1 mm -56.66 -39.5 63.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 10.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.787 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 3.9 pt-20 -61.81 -34.8 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.85 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -73.1 -39.34 65.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.704 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 30' ' ' ILE . 59.2 t -62.61 -41.23 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.435 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 88.4 mttt -58.86 -39.9 82.71 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.103 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.07 89.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.17 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.32 -42.35 95.42 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.208 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 26' ' ' VAL . 41.5 mt -70.76 -37.2 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.212 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -64.02 -43.84 94.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.525 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.75 -32.97 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.046 0.451 . . . . 10.0 110.936 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' B' ' 15' ' ' LEU . 60.4 tttp -76.25 -53.57 8.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.51 -0.768 . . . . 10.0 111.821 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.6 -72.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.84 -1.27 1.08 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.544 -0.836 . . . . 10.0 113.142 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -83.02 123.58 77.48 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 20.9 Cg_endo -59.91 145.85 97.27 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.882 2.388 . . . . 10.0 112.489 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.9 Cg_exo -59.1 -27.18 84.29 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.389 2.726 . . . . 10.0 113.271 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -18.05 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 10.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -105.56 3.39 29.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.39 . . . . 10.0 110.727 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -93.88 109.69 21.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.669 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 72' ' ' ARG . 35.0 ttm180 -97.95 92.49 5.83 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.517 ' HB3' HD12 ' B' ' 50' ' ' LEU . 43.2 mt -82.16 112.69 19.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.011 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.413 HD11 ' HD3' ' B' ' 42' ' ' ARG . 69.1 mt -118.24 123.61 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 10.0 110.533 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -126.66 111.69 14.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.732 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.34 23.31 10.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.141 -0.482 . . . . 10.0 111.668 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.46 -5.51 77.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.032 -0.604 . . . . 10.0 112.538 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 54.3 mtt-85 -105.85 135.91 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.08 137.04 38.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.416 . . . . 10.0 110.61 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' B' ' 43' ' ' LEU . 49.3 mt -88.73 105.09 17.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.828 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.02 140.87 45.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.908 0.385 . . . . 10.0 111.283 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 6.8 m-20 -55.78 -37.41 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 10.0 112.46 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.01 11.39 11.57 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 114.513 0.565 . . . . 10.0 114.513 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -120.81 159.06 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.196 0.498 . . . . 10.0 110.45 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 p -103.46 169.62 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.346 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.9 mt -60.65 -28.74 68.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.009 0.433 . . . . 10.0 111.836 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -19.74 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.618 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.62 -28.06 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 10.0 111.545 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -113.0 17.1 19.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.897 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 56.62 48.64 16.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.683 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.92 126.89 43.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.31 -162.45 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.904 0.383 . . . . 10.0 110.606 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 63' ' ' ARG . 22.7 ttp180 -74.61 152.87 39.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.07 0.26 3.34 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.506 0.504 . . . . 10.0 112.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -77.11 132.48 38.88 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.213 0.53 . . . . 10.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.443 HG23 ' HB2' ' B' ' 4' ' ' PHE . 4.2 m -101.42 134.7 44.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.756 -0.657 . . . . 10.0 109.859 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.411 HD23 HD11 ' B' ' 50' ' ' LEU . 4.6 mp -117.9 150.82 38.58 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -106.05 131.48 53.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.148 0.499 . . . . 10.0 112.152 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 tp -106.74 97.58 7.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.217 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.74 163.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.871 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.529 HD23 ' HG2' ' B' ' 74' ' ' ARG . 12.2 tp -71.18 139.03 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 5.1 ttt180 -104.49 -63.04 1.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.94 116.15 21.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 10.0 111.459 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' B' ' 71' ' ' LEU . 41.7 mtp180 -131.58 -40.34 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.781 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.83 -123.19 2.08 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.763 -0.732 . . . . 10.0 112.37 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.645 ' HA2' ' NZ ' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 10.0 112.623 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.17 0.51 . . . . 10.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' D' ' 16' ' ' GLU . 98.3 mt-30 -81.53 138.21 35.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.324 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 26.2 pt -122.82 164.06 20.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.134 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -118.77 131.6 56.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.383 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.83 127.82 75.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.766 0.317 . . . . 10.0 110.561 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -94.58 124.83 38.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.084 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 32.9 p -77.02 179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -72.93 -18.83 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 10.0 110.022 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -30.06 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.659 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.45 -5.01 10.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.368 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.86 135.72 56.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.819 0.342 . . . . 10.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -105.45 101.99 11.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.964 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -92.4 141.37 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.897 0.38 . . . . 10.0 111.204 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -104.56 135.28 46.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.111 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' D' ' 29' ' ' LYS . 3.4 mt -147.49 140.64 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.925 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' D' ' 2' ' ' GLN . 1.3 tp10 -93.73 128.82 40.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.76 -177.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.066 0.46 . . . . 10.0 110.936 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 2.3 tm-20 -130.94 142.88 47.19 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 107.657 -1.238 . . . . 10.0 107.657 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . 0.641 ' HA ' ' HB2' ' D' ' 56' ' ' LEU . 85.4 Cg_exo -48.59 -32.12 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.603 2.202 . . . . 10.0 112.684 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.27 3.39 27.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.4 OUTLIER -76.94 134.41 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 10.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.47 153.0 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.065 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' D' ' 23' ' ' ILE . 26.2 mm -54.9 -37.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 10.0 111.602 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.51 -35.24 77.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.361 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -68.7 -38.18 80.09 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -42.56 93.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.562 -0.745 . . . . 10.0 109.631 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -61.1 -40.09 92.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.709 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.14 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.749 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' D' ' 15' ' ' LEU . 95.9 mttt -64.49 -37.23 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.439 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.42 -35.14 65.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.285 0.564 . . . . 10.0 109.748 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.464 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 31.3 tt0 -69.05 -21.75 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.415 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.98 -33.68 22.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.402 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -89.03 -50.76 5.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -96.18 -44.72 7.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.946 0.403 . . . . 10.0 110.986 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 101.04 21.98 11.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.445 -0.883 . . . . 10.0 112.947 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . . . . . . . . . 69.8 mt -81.97 125.62 77.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 69.8 Cg_exo -54.03 124.44 15.94 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.885 2.39 . . . . 10.0 111.653 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 52.6 Cg_exo -56.31 -26.05 59.79 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.204 2.603 . . . . 10.0 112.335 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.02 -39.34 93.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.453 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.66 24.6 5.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.998 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -106.52 115.82 30.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.978 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.464 ' HB3' HG23 ' D' ' 70' ' ' VAL . 35.2 ttp85 -122.29 110.78 16.11 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.386 -0.968 . . . . 10.0 108.386 177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.419 HD12 HG23 ' D' ' 23' ' ' ILE . 97.1 mt -91.73 123.25 34.98 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.01 120.13 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.576 -0.898 . . . . 10.0 108.576 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.803 ' HB3' HD21 ' D' ' 50' ' ' LEU . 79.3 t80 -115.09 113.17 23.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.746 0.308 . . . . 10.0 111.388 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.68 15.34 8.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.84 16.49 19.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.467 -0.873 . . . . 10.0 113.565 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 138.13 36.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 10.0 111.792 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' D' ' 45' ' ' PHE . 23.3 mt -95.68 133.16 40.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.76 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' D' ' 54' ' ' ARG . 39.4 mt-10 -78.07 141.67 38.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.04 -48.83 75.25 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.45 57.45 4.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.458 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' D' ' 51' ' ' GLU . 33.3 mmt180 -141.84 157.04 45.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -103.23 173.89 6.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' D' ' 19' ' ' PRO . 39.4 mt -71.47 -29.83 65.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.004 0.43 . . . . 10.0 110.825 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -24.26 65.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.075 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.71 -38.87 89.46 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.456 0.646 . . . . 10.0 110.052 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.52 8.91 37.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.648 . . . . 10.0 111.114 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t30 56.1 44.1 25.82 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.484 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' D' ' 56' ' ' LEU . 69.3 mt -77.8 119.53 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.34 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -103.4 -168.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 86.4 tttt -74.35 145.0 44.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.063 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 7.6 mt-10 78.22 1.57 2.72 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.927 0.767 . . . . 10.0 113.058 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -59.35 123.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 10.0 110.482 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 2.1 m -93.91 109.33 21.05 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.607 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -97.71 147.88 23.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.9 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -108.97 122.67 47.74 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.051 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 112.29 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.962 -0.755 . . . . 10.0 108.962 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' D' ' 42' ' ' ARG . 28.5 m -104.69 -175.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.154 0.502 . . . . 10.0 111.569 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.22 159.3 16.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.625 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -130.87 89.63 2.78 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -126.07 126.77 44.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.23 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -96.92 -52.48 3.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.74 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.06 122.16 1.52 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.98 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 C-N-CA 121.614 -0.327 . . . . 10.0 113.655 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.573 ' HG3' ' HG3' ' E' ' 63' ' ' LYS . 23.1 ttp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.064 0.459 . . . . 10.0 110.429 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' E' ' 15' ' ' LEU . 32.7 tt0 -76.52 114.5 15.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.828 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.524 HD11 HD21 ' E' ' 56' ' ' LEU . 1.0 OUTLIER -99.66 159.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.989 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -109.21 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -93.9 122.91 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' E' ' 12' ' ' THR . 91.4 mttt -122.15 145.86 47.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 10.0 111.788 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -106.71 176.5 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.673 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.618 ' H ' HD23 ' E' ' 8' ' ' LEU . 0.4 OUTLIER -69.72 -20.48 63.52 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.492 0.553 . . . . 10.0 112.492 -179.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 3.7 t -84.62 -8.59 58.83 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.952 0.406 . . . . 10.0 111.474 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.68 56.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 10.0 113.089 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.645 ' NZ ' ' HA2' ' B' ' 76' ' ' GLY . 8.6 tttp -67.57 123.66 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . 0.516 HG23 ' HG2' ' E' ' 6' ' ' LYS . 11.2 m -117.1 129.65 56.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.866 0.365 . . . . 10.0 111.437 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -123.97 135.77 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -98.93 135.71 39.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.056 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' E' ' 2' ' ' GLN . 4.8 mp -137.33 131.89 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -89.13 96.73 10.84 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.765 HG13 ' HE3' ' E' ' 29' ' ' LYS . 21.9 t -111.27 149.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.887 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' E' ' 21' ' ' ASP . 55.2 mm-40 -85.32 145.81 43.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.87 -26.67 82.98 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.801 2.334 . . . . 10.0 112.279 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p -87.21 -0.8 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.902 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' E' ' 18' ' ' GLU . 19.5 m-20 -77.49 144.19 37.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 10.0 110.827 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 55' ' ' THR . 15.3 p -89.64 170.03 10.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . 0.837 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 28.8 mm -58.8 -36.59 61.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.845 0.355 . . . . 10.0 110.367 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . 0.48 ' H ' ' HG3' ' E' ' 24' ' ' GLU . 0.8 OUTLIER -59.34 -37.73 78.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.948 179.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' E' ' 29' ' ' LYS . 19.8 m-20 -69.52 -41.78 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.5 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.554 HG22 HG11 ' E' ' 17' ' ' VAL . 38.2 t -63.44 -47.15 93.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.87 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -60.2 -39.68 87.44 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.831 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.69 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.585 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.765 ' HE3' HG13 ' E' ' 17' ' ' VAL . 23.6 mttm -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.543 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.88 -33.7 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 121.185 0.517 . . . . 10.0 110.457 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 62.5 tt0 -71.49 -22.12 61.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.539 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -87.0 -47.06 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.094 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -73.84 -50.8 18.66 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.81 -40.93 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 109.05 -1.98 31.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.452 -0.88 . . . . 10.0 112.869 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 32.4 mt -71.45 122.16 86.36 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' E' ' 41' ' ' GLN . 32.7 Cg_exo -61.21 144.28 98.81 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.679 2.253 . . . . 10.0 111.252 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.73 -33.54 96.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.028 2.485 . . . . 10.0 112.003 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.04 -17.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.765 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -103.82 4.24 34.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 10.0 110.055 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' E' ' 37' ' ' PRO . 77.4 mt-30 -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.869 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . 0.444 ' HB3' HG23 ' E' ' 70' ' ' VAL . 37.1 ttm180 -127.73 109.18 11.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.004 -1.11 . . . . 10.0 108.004 177.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' E' ' 50' ' ' LEU . 53.9 mt -91.01 123.54 34.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.085 0.469 . . . . 10.0 111.835 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.61 128.61 74.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.677 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.853 ' HB3' HD21 ' E' ' 50' ' ' LEU . 78.8 t80 -136.08 120.65 18.25 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.54 16.92 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.762 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.95 -5.21 68.7 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -104.54 147.23 27.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.671 0.272 . . . . 10.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.04 126.25 30.45 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.17 -0.678 . . . . 10.0 109.17 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' E' ' 45' ' ' PHE . 38.0 mt -81.03 110.71 16.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.812 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.99 135.65 52.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.22 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . 0.837 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 3.5 m-20 -56.21 -42.45 77.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.94 38.21 1.74 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.851 0.7 . . . . 10.0 114.851 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -141.09 157.8 44.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.317 0.559 . . . . 10.0 110.202 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' E' ' 22' ' ' THR . 68.6 p -93.0 -178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.559 0.577 . . . . 10.0 112.559 -178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . 0.524 HD21 HD11 ' E' ' 3' ' ' ILE . 7.2 mp -69.88 -41.94 74.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -66.22 -21.59 66.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' E' ' 55' ' ' THR . 0.8 OUTLIER -60.68 -34.21 73.99 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.011 0.434 . . . . 10.0 110.763 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -109.99 18.94 19.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.041 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 10.2 p30 47.59 38.62 8.38 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . . . . . . . . . 53.4 mt -73.53 120.77 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.635 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -98.24 -177.59 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.763 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.573 ' HG3' ' HG3' ' E' ' 1' ' ' MET . 17.0 ttpp -73.57 139.95 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 73.69 17.94 3.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.75 0.656 . . . . 10.0 112.236 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 26.9 m -81.81 160.9 23.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.355 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . . . . . . . . . 32.6 m -103.78 126.78 51.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.161 0.505 . . . . 10.0 112.159 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . . . . . . . . . 73.9 mt -109.51 123.11 48.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.39 114.79 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.831 0.348 . . . . 10.0 110.875 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' E' ' 41' ' ' GLN . 36.7 tp -108.23 122.42 46.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.79 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' E' ' 42' ' ' ARG . 16.7 m -120.61 175.84 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.33 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 2.0 tt -83.36 124.9 31.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.373 . . . . 10.0 111.032 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -99.27 113.17 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.196 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.094 -179.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.685 0.278 . . . . 10.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -85.83 130.62 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.582 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -122.39 159.63 25.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.54 126.88 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.766 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -116.32 123.08 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' B' ' 12' ' ' THR . 34.8 mttm -104.2 141.84 35.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.831 0.348 . . . . 10.0 111.428 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -177.94 4.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.203 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.01 -12.61 52.3 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -92.53 -24.9 18.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.19 0.519 . . . . 10.0 110.463 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.33 -9.61 26.58 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.599 -0.81 . . . . 10.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.552 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 25.3 ttm180 -58.41 133.17 55.52 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HG3' ' B' ' 6' ' ' LYS . 0.5 OUTLIER -110.33 118.96 37.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.515 -178.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.01 143.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.961 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -95.39 142.66 27.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.879 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -141.22 148.97 40.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.179 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.13 114.93 29.36 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -134.21 169.29 21.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.878 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.7 mm-40 -110.33 154.41 42.94 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.399 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.57 -28.14 86.7 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.129 1.886 . . . . 10.0 111.255 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.94 5.67 43.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.567 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.57 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 4.6 m-20 -72.22 134.13 45.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 10.0 110.609 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 146.91 29.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.026 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -53.68 -41.09 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.517 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.55 -34.86 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.101 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 29.2 t-20 -73.11 -36.22 66.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.99 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -61.32 -41.43 96.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.12 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.65 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.673 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 97.0 mttt -62.54 -37.34 85.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.927 0.394 . . . . 10.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.49 HD13 HD22 ' B' ' 69' ' ' LEU . 69.7 mt -73.14 -34.72 45.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.322 0.582 . . . . 10.0 109.705 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.467 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 10.5 tt0 -68.46 -31.38 70.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.542 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -26.09 45.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.703 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -92.69 -61.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 10.0 111.727 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -86.02 -38.5 17.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.664 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 101.42 21.4 11.58 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.445 -0.884 . . . . 10.0 112.629 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.0 mt -87.0 121.6 71.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 63.4 Cg_exo -55.08 133.88 60.6 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.031 2.488 . . . . 10.0 111.84 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.34 -31.53 91.28 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 10.0 113.01 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 15.7 p-10 -79.18 -14.79 58.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.4 0.96 40.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.483 0.659 . . . . 10.0 109.503 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -94.24 127.03 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.522 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.556 ' HD2' HG23 ' B' ' 70' ' ' VAL . 12.1 ttm180 -116.8 89.23 3.06 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -75.95 121.77 23.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.493 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.6 mt -125.84 131.61 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.277 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' B' ' 50' ' ' LEU . 71.2 t80 -123.56 118.36 27.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.774 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.709 ' H ' ' HA ' ' D' ' 46' ' ' ALA . . . 69.34 -40.6 0.46 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.76 -3.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 153.68 21.87 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -91.21 133.25 35.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 45' ' ' PHE . 25.9 mt -81.33 134.22 35.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.686 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -83.48 138.59 33.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.568 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.64 -46.53 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.672 -0.695 . . . . 10.0 112.737 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.9 30.75 3.17 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.985 -0.626 . . . . 10.0 114.12 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' B' ' 54' ' ' ARG . 9.3 mmt180 -124.81 163.79 21.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.418 -0.46 . . . . 10.0 110.644 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.0 p -107.68 169.78 8.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.709 0.29 . . . . 10.0 111.091 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.439 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 71.1 mt -65.42 -33.44 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 10.0 111.035 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -25.82 67.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.669 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.96 -35.71 81.57 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.267 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -101.72 6.13 41.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.993 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.75 42.53 10.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.37 -0.832 . . . . 10.0 111.989 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 67.1 mt -81.82 126.58 39.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.67 -0.863 . . . . 10.0 108.67 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -112.29 -168.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -68.93 140.3 55.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.098 -0.955 . . . . 10.0 112.015 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.58 15.21 8.7 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 113.467 0.914 . . . . 10.0 113.467 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -77.26 116.53 17.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -81.15 122.12 26.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.028 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.2 mp -114.56 160.83 18.82 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.634 ' ND1' ' HD3' ' D' ' 48' ' ' ARG . 18.1 m170 -114.4 126.35 54.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.405 0.891 . . . . 10.0 113.405 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.49 HD22 HD13 ' B' ' 30' ' ' ILE . 54.1 tp -106.49 94.47 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.149 -0.932 . . . . 10.0 108.972 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.556 HG23 ' HD2' ' B' ' 42' ' ' ARG . 3.4 m -90.98 174.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.289 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 tp -77.53 120.19 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' B' ' 42' ' ' ARG . 67.2 ttt180 -84.87 102.63 13.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.458 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.13 137.48 54.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -119.16 130.21 55.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.956 0.408 . . . . 10.0 111.566 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.32 -74.11 2.49 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.045 -0.598 . . . . 10.0 112.253 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.664 ' HA3' ' HZ3' ' E' ' 11' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.44 0 C-N-CA 121.098 -0.573 . . . . 10.0 111.865 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.945 0.402 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.34 140.27 33.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.679 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 22.0 pt -115.05 162.51 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.888 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.93 121.33 43.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 10.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.53 HG21 HD12 ' D' ' 15' ' ' LEU . 87.4 t -102.36 110.61 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.792 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -92.15 112.33 24.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 60.8 p -80.29 -179.1 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.371 . . . . 10.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.97 -32.0 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.775 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.1 -17.67 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.621 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -7.82 45.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.793 -0.718 . . . . 10.0 111.815 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.58 134.19 49.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' D' ' 5' ' ' VAL . 1.5 m -117.43 110.16 17.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.015 0.436 . . . . 10.0 110.891 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.468 HG13 ' HB ' ' D' ' 5' ' ' VAL . 32.8 pt -103.81 155.13 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 135.94 44.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.505 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.53 HD12 HG21 ' D' ' 5' ' ' VAL . 32.1 mt -131.4 133.48 45.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -82.9 123.44 29.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.475 -0.935 . . . . 10.0 108.475 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -134.48 177.66 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.161 0.505 . . . . 10.0 111.747 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' D' ' 21' ' ' ASP . 19.5 mm-40 -127.59 158.2 70.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.147 -0.933 . . . . 10.0 108.934 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.46 -27.37 82.27 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.195 1.93 . . . . 10.0 111.02 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -4.11 59.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.788 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' D' ' 18' ' ' GLU . 0.7 OUTLIER -67.0 137.89 56.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.782 0.325 . . . . 10.0 110.73 -179.704 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -95.31 158.25 15.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ILE . . . . . 0.444 HG23 HD12 ' D' ' 43' ' ' LEU . 28.9 mm -56.8 -38.71 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.79 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.0 -45.79 91.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' D' ' 29' ' ' LYS . 32.4 t30 -64.95 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.416 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.29 -46.2 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.37 -39.37 83.09 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.428 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.593 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' D' ' 25' ' ' ASN . 87.1 mttt -67.06 -36.32 81.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.142 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.99 -38.44 79.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.111 0.481 . . . . 10.0 109.837 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' GLN . . . . . 0.426 ' O ' ' HA2' ' D' ' 35' ' ' GLY . 61.9 tt0 -69.29 -25.82 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.294 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.4 -23.14 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.408 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -105.44 -55.52 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' GLU . . . . . 0.453 ' HB3' HG13 ' D' ' 36' ' ' ILE . 3.1 tp10 -93.38 -12.28 30.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.221 0.452 . . . . 10.0 112.221 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' D' ' 31' ' ' GLN . . . 71.43 28.65 69.3 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.906 -0.664 . . . . 10.0 113.596 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' D' ' 34' ' ' GLU . 61.0 mt -88.7 119.91 70.08 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' D' ' 38' ' ' PRO . 43.3 Cg_exo -58.52 127.04 23.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.862 2.374 . . . . 10.0 111.894 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' D' ' 37' ' ' PRO . 36.3 Cg_exo -59.29 -23.89 71.84 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.364 2.709 . . . . 10.0 112.08 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.19 -40.22 89.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.274 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -95.38 -0.59 52.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.985 0.422 . . . . 10.0 110.981 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.35 135.06 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.224 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' D' ' 72' ' ' ARG . 13.4 ttp85 -143.26 108.72 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.636 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' D' ' 50' ' ' LEU . 73.3 mt -85.29 128.71 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 10.0 112.319 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -120.0 131.91 71.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD21 ' D' ' 50' ' ' LEU . 7.9 t80 -134.87 117.6 16.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.433 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.709 ' HA ' ' H ' ' B' ' 46' ' ' ALA . . . 60.08 25.52 14.8 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.703 0.627 . . . . 10.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.81 -29.13 11.02 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.745 -0.741 . . . . 10.0 113.44 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.634 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 0.0 OUTLIER -82.6 137.51 34.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.027 0.413 . . . . 10.0 110.564 -179.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -79.47 124.49 28.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.087 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' D' ' 45' ' ' PHE . 19.1 mt -77.8 127.01 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.433 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' GLU . . . . . 0.41 ' HB2' ' CG ' ' D' ' 54' ' ' ARG . 29.7 mt-10 -73.23 143.71 47.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.755 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.54 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.908 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 56.12 5.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' ARG . . . . . 0.41 ' CG ' ' HB2' ' D' ' 51' ' ' GLU . 30.6 mmt180 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.743 0.306 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -101.05 167.28 10.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.784 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.503 ' HG ' HD12 ' D' ' 61' ' ' ILE . 5.5 mp -64.69 -32.38 74.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 10.0 110.647 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 1.3 p -67.72 -24.67 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.427 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -67.08 -41.76 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.152 0.501 . . . . 10.0 110.758 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.11 10.28 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.984 -0.553 . . . . 10.0 112.096 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' ASN . . . . . 0.487 ' ND2' HE21 ' D' ' 62' ' ' GLN . 5.9 t30 54.68 41.37 31.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.316 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' ILE . . . . . 0.503 HD12 ' HG ' ' D' ' 56' ' ' LEU . 54.0 mt -75.02 118.17 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 10.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.487 HE21 ' ND2' ' D' ' 60' ' ' ASN . 73.1 mm-40 -101.74 -175.69 2.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.726 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 64' ' ' GLU . 71.8 tttt -71.69 141.28 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.407 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' D' ' 63' ' ' LYS . 74.6 mt-10 78.56 1.99 2.6 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.148 0.795 . . . . 10.0 113.148 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -68.18 139.53 56.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 10.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -104.2 124.44 49.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.258 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' LEU . . . . . . . . . . . . . 81.8 mt -103.9 134.64 46.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.577 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -96.8 128.44 43.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.81 0.338 . . . . 10.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -100.3 114.57 28.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.69 168.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.201 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 39.7 tp -74.37 138.43 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.974 0.416 . . . . 10.0 111.517 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' D' ' 42' ' ' ARG . 34.9 ttp180 -121.75 95.67 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.928 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 tp -150.34 124.52 9.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.052 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -115.17 173.93 6.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.886 0.374 . . . . 10.0 111.173 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.86 148.49 19.83 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . 0.486 ' HA2' ' HZ1' ' E' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.792 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 66.0 ttp . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.847 0.356 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -87.9 132.07 34.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.038 0.447 . . . . 10.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 pt -118.8 163.68 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.989 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' E' ' 66' ' ' THR . 50.8 m-85 -120.09 112.85 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.752 0.31 . . . . 10.0 110.92 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.26 119.97 52.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.138 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -107.17 171.55 7.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.133 0.492 . . . . 10.0 111.152 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -136.42 169.82 17.06 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.868 -0.79 . . . . 10.0 108.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.416 HD23 HG12 ' E' ' 70' ' ' VAL . 2.5 pp -73.04 -4.64 33.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 10.0 111.45 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -97.69 -4.7 36.76 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.123 0.487 . . . . 10.0 110.259 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -22.21 41.16 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.275 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' LYS . . . . . 0.664 ' HZ3' ' HA3' ' B' ' 76' ' ' GLY . 10.2 tttp -56.81 131.82 50.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.158 0.504 . . . . 10.0 112.088 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -122.82 122.91 39.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.57 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 tp -115.0 137.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.014 0.435 . . . . 10.0 110.915 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.29 137.89 32.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.012 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -143.46 149.5 37.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.593 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -106.92 110.7 22.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' VAL . . . . . 0.565 HG11 HG22 ' E' ' 26' ' ' VAL . 15.9 t -131.26 140.58 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.533 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.66 147.01 70.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.05 -27.88 86.27 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.605 2.203 . . . . 10.0 112.736 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.42 6.67 47.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.8 146.72 35.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.68 0.276 . . . . 10.0 110.818 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' THR . . . . . 0.48 ' O ' HG23 ' E' ' 26' ' ' VAL . 0.1 OUTLIER -86.49 152.42 22.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.144 -179.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ILE . . . . . 0.492 ' HB ' ' HA ' ' E' ' 52' ' ' ASP . 42.8 mm -55.34 -36.7 41.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.964 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' E' ' 52' ' ' ASP . 23.9 mt-10 -60.12 -38.08 81.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.233 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -77.57 -24.34 49.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.225 0.536 . . . . 10.0 110.137 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' VAL . . . . . 0.565 HG22 HG11 ' E' ' 17' ' ' VAL . 60.3 t -72.87 -40.89 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -61.02 -38.67 86.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.433 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.02 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.743 -0.662 . . . . 10.0 111.052 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' LYS . . . . . 0.528 ' HE3' HG22 ' E' ' 17' ' ' VAL . 24.5 mtmm -72.34 -37.96 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.021 0.439 . . . . 10.0 110.56 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -69.21 -31.61 50.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.405 0.621 . . . . 10.0 109.94 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' GLN . . . . . 0.556 ' O ' ' HA2' ' E' ' 35' ' ' GLY . 65.4 tt0 -74.6 -20.9 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.964 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.69 -47.58 11.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.088 -0.506 . . . . 10.0 109.92 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.7 -78.5 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.82 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.98 -41.2 74.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.988 0.366 . . . . 10.0 111.988 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' E' ' 31' ' ' GLN . . . 105.76 9.89 31.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.537 -0.839 . . . . 10.0 112.385 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.04 119.42 77.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -62.1 140.22 82.82 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.809 2.34 . . . . 10.0 112.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.64 -25.2 66.51 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.191 2.594 . . . . 10.0 112.054 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.49 -27.41 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.769 -0.651 . . . . 10.0 111.088 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -108.48 8.92 27.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.993 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -93.77 126.24 38.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.987 0.365 . . . . 10.0 111.987 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -138.34 104.26 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.462 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 67' ' ' LEU . 15.5 mt -95.36 135.02 37.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 10.0 112.006 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.09 124.6 69.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.293 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -118.34 106.66 12.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.94 32.68 19.97 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.655 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -16.66 60.67 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . 0.486 ' HZ1' ' HA2' ' D' ' 76' ' ' GLY . 0.0 OUTLIER -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.746 0.308 . . . . 10.0 111.202 -179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -69.88 138.84 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' LEU . . . . . 0.49 HD11 HD21 ' E' ' 67' ' ' LEU . 20.2 mt -86.89 124.27 32.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.984 0.421 . . . . 10.0 111.753 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.12 140.04 29.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.98 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' ASP . . . . . 0.492 ' HA ' ' HB ' ' E' ' 23' ' ' ILE . 1.4 m-20 -58.6 -30.76 67.46 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.925 0.713 . . . . 10.0 112.925 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.72 8.6 48.46 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.908 1.123 . . . . 10.0 115.908 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 54' ' ' ARG . . . . . 0.431 ' HE ' ' HB3' ' E' ' 58' ' ' ASP . 19.6 mtp180 -123.42 168.23 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.063 0.932 . . . . 10.0 112.099 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -107.46 173.12 6.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.682 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -35.52 74.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.002 0.43 . . . . 10.0 111.273 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 21.4 m -67.3 -24.24 65.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.368 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 58' ' ' ASP . . . . . 0.431 ' HB3' ' HE ' ' E' ' 54' ' ' ARG . 52.4 m-20 -75.04 -4.18 36.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.416 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' E' ' 54' ' ' ARG . 58.8 m-85 -127.82 15.13 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 p30 47.75 36.58 5.89 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.72 1.007 . . . . 10.0 113.72 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 61' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' E' ' 65' ' ' SER . 19.5 mt -74.92 129.66 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.965 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -105.96 -169.22 1.55 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.95 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 63' ' ' LYS . . . . . 0.489 ' HG2' ' HG3' ' E' ' 64' ' ' GLU . 24.1 ttpp -74.19 135.79 42.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.548 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.489 ' HG3' ' HG2' ' E' ' 63' ' ' LYS . 22.9 mt-10 69.1 10.55 7.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.971 0.73 . . . . 10.0 112.971 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . 0.423 ' HB2' HG23 ' E' ' 61' ' ' ILE . 69.5 m -64.19 135.61 56.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.727 0.299 . . . . 10.0 110.311 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' E' ' 4' ' ' PHE . 6.8 m -87.93 130.38 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.514 . . . . 10.0 112.327 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 67' ' ' LEU . . . . . 0.621 HD13 HD13 ' E' ' 43' ' ' LEU . 2.1 mt -117.77 151.79 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.413 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -111.21 120.1 41.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.657 0.265 . . . . 10.0 110.56 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -104.14 113.06 26.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.077 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 70' ' ' VAL . . . . . 0.416 HG12 HD23 ' E' ' 8' ' ' LEU . 30.0 m -112.52 -177.61 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 tp -82.23 131.23 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.59 99.36 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.967 0.413 . . . . 10.0 111.237 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 73' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.237 0.443 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.433 179.268 . . . . . . . . 0 0 . 1 stop_ save_